Synonyms
Pachycarpine
IUPAC Name
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;
Molecular Weight
234.38
Molecular Formula
C15H26N2;
Canonical SMILES
C1CCN2CC3CC(C2C1)CN4C3CCCC4;
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1
InChI Key
SLRCCWJSBJZJBV-TUVASFSCSA-N
Melting Point
201 °C
Purity
98%+
Complexity
263
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
EC Number
201-988-8
Exact Mass
234.209598838
H-Bond Acceptor
2
Heavy Atom Count
17
Isomeric SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4
Monoisotopic Mass
234.209598838
Physical State
Solid
Rotatable Bond Count
0
Topological Polar Surface Area
6.5 Ų
