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Sparteine

C15H26N2 — CID 644020

💊View drug profile → sparteine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=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+/m0/s1
InChIKeySLRCCWJSBJZJBV-ZQDZILKHSA-N
MW234.39 g/mol
LogP2.35
Rot. Bonds

About Sparteine

Sparteine (PubChem CID 644020) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound NameSparteine
PubChem CID644020
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=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+/m0/s1
InChIKeySLRCCWJSBJZJBV-ZQDZILKHSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-Sparteine
CID 7014
7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S,7aR,14S,14aS)-, sulfate (1:1)
CID 23616742
Sparteine non-stereo
CID 3966
Lupinidine
CID 6452127
(+)-Spartein Surrogate
CID 566851
rel-(1R,5S,11aS)-Decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine
CID 11159879
Dodecahydro-7,14-methano-dipyrido[1,2-a;1'',2''-e][1,5]diazocine
CID 70960031
Matridine
CID 6857498
alpha-Isosparteine
CID 15939859

Frequently Asked Questions

What is the IUPAC name of Sparteine?
The IUPAC name of Sparteine (CID 644020) is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for Sparteine?
The canonical SMILES for Sparteine is C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of Sparteine?
The InChIKey is SLRCCWJSBJZJBV-ZQDZILKHSA-N. The full InChI is 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+/m0/s1.
What are the key properties of Sparteine?
Sparteine has a molecular weight of 234.39 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Sparteine is sourced from PubChem (CID 644020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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