2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile

C11H20N2O — CID 115903557

IUPAC2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
SMILESCCC(O)CCNC1CCCC1C#N
InChIInChI=1S/C11H20N2O/c1-2-10(14)6-7-13-11-5-3-4-9(11)8-12/h9-11,13-14H,2-7H2,1H3
InChIKeyNIRVDPJGSCCNAG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds5

About 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile

2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile (PubChem CID 115903557) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
PubChem CID115903557
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
SMILESCCC(O)CCNC1CCCC1C#N
InChIInChI=1S/C11H20N2O/c1-2-10(14)6-7-13-11-5-3-4-9(11)8-12/h9-11,13-14H,2-7H2,1H3
InChIKeyNIRVDPJGSCCNAG-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 106675432
2-(7-methyloctylamino)cyclohexane-1-carbonitrile
CID 107814920
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile (CID 115903557) is 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile is CCC(O)CCNC1CCCC1C#N.
What is the InChIKey of 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile?
The InChIKey is NIRVDPJGSCCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10(14)6-7-13-11-5-3-4-9(11)8-12/h9-11,13-14H,2-7H2,1H3.
What are the key properties of 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile?
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 115903557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).