1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile

C18H25N3 — CID 79639357

IUPAC1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C18H25N3/c1-2-20-18(14-19)10-8-17(12-18)21-11-9-16(13-21)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3
InChIKeyBLWDCHNLOPXDLN-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.90
Rot. Bonds4

About 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79639357) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID79639357
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C18H25N3/c1-2-20-18(14-19)10-8-17(12-18)21-11-9-16(13-21)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3
InChIKeyBLWDCHNLOPXDLN-UHFFFAOYSA-N
XLogP2.90
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
1-(ethylamino)-3-(5-ethyl-2-methylmorpholin-4-yl)cyclopentane-1-carbonitrile
CID 79639950
3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639476
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639637
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79638333
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile (CID 79639357) is 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is BLWDCHNLOPXDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-20-18(14-19)10-8-17(12-18)21-11-9-16(13-21)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3.
What are the key properties of 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).