5-amino-5-cycloheptylazepane-2-carbonitrile

C14H25N3 — CID 142047999

IUPAC5-amino-5-cycloheptylazepane-2-carbonitrile
SMILESN#CC1CCC(N)(C2CCCCCC2)CCN1
InChIInChI=1S/C14H25N3/c15-11-13-7-8-14(16,9-10-17-13)12-5-3-1-2-4-6-12/h12-13,17H,1-10,16H2
InChIKeyBQHDAQSKVCGLNY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.32
Rot. Bonds1

About 5-amino-5-cycloheptylazepane-2-carbonitrile

5-amino-5-cycloheptylazepane-2-carbonitrile (PubChem CID 142047999) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-amino-5-cycloheptylazepane-2-carbonitrile.

Molecular Properties

Compound Name5-amino-5-cycloheptylazepane-2-carbonitrile
PubChem CID142047999
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-amino-5-cycloheptylazepane-2-carbonitrile
SMILESN#CC1CCC(N)(C2CCCCCC2)CCN1
InChIInChI=1S/C14H25N3/c15-11-13-7-8-14(16,9-10-17-13)12-5-3-1-2-4-6-12/h12-13,17H,1-10,16H2
InChIKeyBQHDAQSKVCGLNY-UHFFFAOYSA-N
XLogP2.32
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-cycloheptylazepane-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(Tert-butylamino)-3-cycloheptylpropanenitrile
CID 20825423
2-(Tert-butylamino)-5-cycloheptylpentanenitrile
CID 20825474
2-Propan-2-ylazepane-4-carbonitrile
CID 173279027
(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile
CID 10464499
1-(Propan-2-ylamino)cycloheptane-1-carbonitrile
CID 43151542
2-(Cycloheptylamino)-2-cyclohexylpropanenitrile
CID 54894015
1-(Cycloheptylamino)cycloheptane-1-carbonitrile
CID 54894296
2-(Cycloheptylamino)-2-cyclopentylpropanenitrile
CID 55096819
2-(Cycloheptylamino)-2-ethyl-3-methylbutanenitrile
CID 60997907
2-(Cycloheptylamino)-2,3-dimethylpentanenitrile
CID 60997908
1-(1,4-Diazepan-1-yl)cycloheptane-1-carbonitrile
CID 61005941
1-(2-Methylpropylamino)cycloheptane-1-carbonitrile
CID 61006572

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-cycloheptylazepane-2-carbonitrile?
The IUPAC name of 5-amino-5-cycloheptylazepane-2-carbonitrile (CID 142047999) is 5-amino-5-cycloheptylazepane-2-carbonitrile.
What is the SMILES notation for 5-amino-5-cycloheptylazepane-2-carbonitrile?
The canonical SMILES for 5-amino-5-cycloheptylazepane-2-carbonitrile is N#CC1CCC(N)(C2CCCCCC2)CCN1.
What is the InChIKey of 5-amino-5-cycloheptylazepane-2-carbonitrile?
The InChIKey is BQHDAQSKVCGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-11-13-7-8-14(16,9-10-17-13)12-5-3-1-2-4-6-12/h12-13,17H,1-10,16H2.
What are the key properties of 5-amino-5-cycloheptylazepane-2-carbonitrile?
5-amino-5-cycloheptylazepane-2-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-cycloheptylazepane-2-carbonitrile is sourced from PubChem (CID 142047999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).