3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane

C18H32N2 — CID 106172745

IUPAC3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane
SMILESC1=C(CCN2CCCNC(C3CCCCC3)C2)CCC1
InChIInChI=1S/C18H32N2/c1-2-9-17(10-3-1)18-15-20(13-6-12-19-18)14-11-16-7-4-5-8-16/h7,17-19H,1-6,8-15H2
InChIKeyNPJJJGVKQOIIRI-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.73
Rot. Bonds4

About 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane

3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane (PubChem CID 106172745) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane
PubChem CID106172745
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane
SMILESC1=C(CCN2CCCNC(C3CCCCC3)C2)CCC1
InChIInChI=1S/C18H32N2/c1-2-9-17(10-3-1)18-15-20(13-6-12-19-18)14-11-16-7-4-5-8-16/h7,17-19H,1-6,8-15H2
InChIKeyNPJJJGVKQOIIRI-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane 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 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane (CID 106172745) is 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane is C1=C(CCN2CCCNC(C3CCCCC3)C2)CCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane?
The InChIKey is NPJJJGVKQOIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-9-17(10-3-1)18-15-20(13-6-12-19-18)14-11-16-7-4-5-8-16/h7,17-19H,1-6,8-15H2.
What are the key properties of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane?
3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane has a molecular weight of 276.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 106172745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).