3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C17H32N4 — CID 79638520

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCN(CC)C1CCN(C2CCC(C#N)(NC(C)C)C2)C1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)16-8-10-21(12-16)15-7-9-17(11-15,13-18)19-14(3)4/h14-16,19H,5-12H2,1-4H3
InChIKeyCOJFOMOQJMHZLZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds6

About 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79638520) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79638520
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCN(CC)C1CCN(C2CCC(C#N)(NC(C)C)C2)C1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)16-8-10-21(12-16)15-7-9-17(11-15,13-18)19-14(3)4/h14-16,19H,5-12H2,1-4H3
InChIKeyCOJFOMOQJMHZLZ-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-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

1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626551
3-(4-ethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626005
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638696
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79638520) is 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCN(CC)C1CCN(C2CCC(C#N)(NC(C)C)C2)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is COJFOMOQJMHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-20(6-2)16-8-10-21(12-16)15-7-9-17(11-15,13-18)19-14(3)4/h14-16,19H,5-12H2,1-4H3.
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).