4-(dipropylamino)cyclohexene-1-carbonitrile

C13H22N2 — CID 10420539

IUPAC4-(dipropylamino)cyclohexene-1-carbonitrile
SMILESCCCN(CCC)C1CC=C(C#N)CC1
InChIInChI=1S/C13H22N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h5,13H,3-4,6-10H2,1-2H3
InChIKeyWKFNOWSGTCBYBL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.11
Rot. Bonds5

About 4-(dipropylamino)cyclohexene-1-carbonitrile

4-(dipropylamino)cyclohexene-1-carbonitrile (PubChem CID 10420539) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(dipropylamino)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-(dipropylamino)cyclohexene-1-carbonitrile
PubChem CID10420539
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(dipropylamino)cyclohexene-1-carbonitrile
SMILESCCCN(CCC)C1CC=C(C#N)CC1
InChIInChI=1S/C13H22N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h5,13H,3-4,6-10H2,1-2H3
InChIKeyWKFNOWSGTCBYBL-UHFFFAOYSA-N
XLogP3.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(dipropylamino)cyclohexene-1-carbonitrile 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 4-(dipropylamino)cyclohexene-1-carbonitrile?
The IUPAC name of 4-(dipropylamino)cyclohexene-1-carbonitrile (CID 10420539) is 4-(dipropylamino)cyclohexene-1-carbonitrile.
What is the SMILES notation for 4-(dipropylamino)cyclohexene-1-carbonitrile?
The canonical SMILES for 4-(dipropylamino)cyclohexene-1-carbonitrile is CCCN(CCC)C1CC=C(C#N)CC1.
What is the InChIKey of 4-(dipropylamino)cyclohexene-1-carbonitrile?
The InChIKey is WKFNOWSGTCBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h5,13H,3-4,6-10H2,1-2H3.
What are the key properties of 4-(dipropylamino)cyclohexene-1-carbonitrile?
4-(dipropylamino)cyclohexene-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)cyclohexene-1-carbonitrile is sourced from PubChem (CID 10420539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).