1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile

C17H29N3O — CID 79577634

IUPAC1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1(C)CN(CCC2CCCC2(C#N)NC2CC2)CCO1
InChIInChI=1S/C17H29N3O/c1-16(2)13-20(10-11-21-16)9-7-14-4-3-8-17(14,12-18)19-15-5-6-15/h14-15,19H,3-11,13H2,1-2H3
InChIKeyKOAGBPGNUQMXJQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.30
Rot. Bonds5

About 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79577634) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79577634
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1(C)CN(CCC2CCCC2(C#N)NC2CC2)CCO1
InChIInChI=1S/C17H29N3O/c1-16(2)13-20(10-11-21-16)9-7-14-4-3-8-17(14,12-18)19-15-5-6-15/h14-15,19H,3-11,13H2,1-2H3
InChIKeyKOAGBPGNUQMXJQ-UHFFFAOYSA-N
XLogP2.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577625
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79572397
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
CID 116679454
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile (CID 79577634) is 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile is CC1(C)CN(CCC2CCCC2(C#N)NC2CC2)CCO1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is KOAGBPGNUQMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2)13-20(10-11-21-16)9-7-14-4-3-8-17(14,12-18)19-15-5-6-15/h14-15,19H,3-11,13H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 291.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).