2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C18H33N3 — CID 79575959

IUPAC2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN1CCCC(C)CC1
InChIInChI=1S/C18H33N3/c1-3-11-20-18(15-19)10-4-7-17(18)9-14-21-12-5-6-16(2)8-13-21/h16-17,20H,3-14H2,1-2H3
InChIKeyBROJMTOBPNQTGQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79575959) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79575959
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN1CCCC(C)CC1
InChIInChI=1S/C18H33N3/c1-3-11-20-18(15-19)10-4-7-17(18)9-14-21-12-5-6-16(2)8-13-21/h16-17,20H,3-14H2,1-2H3
InChIKeyBROJMTOBPNQTGQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695
2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572331
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79573740
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79575959) is 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCN1CCCC(C)CC1.
What is the InChIKey of 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is BROJMTOBPNQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-3-11-20-18(15-19)10-4-7-17(18)9-14-21-12-5-6-16(2)8-13-21/h16-17,20H,3-14H2,1-2H3.
What are the key properties of 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79575959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).