4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile

C14H24N2 — CID 43291506

IUPAC4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-2-5-12-6-7-13(11-15)14(10-12)16-8-3-4-9-16/h12-14H,2-10H2,1H3
InChIKeyUMZFZWLGSNVPBG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds3

About 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile

4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile (PubChem CID 43291506) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
PubChem CID43291506
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-2-5-12-6-7-13(11-15)14(10-12)16-8-3-4-9-16/h12-14H,2-10H2,1H3
InChIKeyUMZFZWLGSNVPBG-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propyl-2-pyrrolidin-1-ylcyclohexane-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

Related Compounds

2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 107454997
4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 63514177
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
1-(2-cyano-5-propylcyclohexyl)-1,2,4-triazole-3-carbonitrile
CID 62951228

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile?
The IUPAC name of 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile (CID 43291506) is 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCCC2)C1.
What is the InChIKey of 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile?
The InChIKey is UMZFZWLGSNVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-5-12-6-7-13(11-15)14(10-12)16-8-3-4-9-16/h12-14H,2-10H2,1H3.
What are the key properties of 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile?
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).