(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene

C15H24N2 — CID 91753418

IUPAC(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene
SMILESC1=C[C@@H]2[C@@H]3C[C@@H](CN2CC1)[C@@H]1CCCCN1C3
InChIInChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h1,5,12-15H,2-4,6-11H2/t12-,13+,14-,15+/m1/s1
InChIKeyCEGRSKIFIBSIQU-BARDWOONSA-N
MW232.37 g/mol
LogP2.12
Rot. Bonds

About (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene

(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene (PubChem CID 91753418) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene.

Molecular Properties

Compound Name(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene
PubChem CID91753418
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene
SMILESC1=C[C@@H]2[C@@H]3C[C@@H](CN2CC1)[C@@H]1CCCCN1C3
InChIInChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h1,5,12-15H,2-4,6-11H2/t12-,13+,14-,15+/m1/s1
InChIKeyCEGRSKIFIBSIQU-BARDWOONSA-N
XLogP2.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene?
The IUPAC name of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene (CID 91753418) is (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene.
What is the SMILES notation for (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene?
The canonical SMILES for (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene is C1=C[C@@H]2[C@@H]3C[C@@H](CN2CC1)[C@@H]1CCCCN1C3.
What is the InChIKey of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene?
The InChIKey is CEGRSKIFIBSIQU-BARDWOONSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h1,5,12-15H,2-4,6-11H2/t12-,13+,14-,15+/m1/s1.
What are the key properties of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene?
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene has a molecular weight of 232.37 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene is sourced from PubChem (CID 91753418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).