1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile

C16H29N3O — CID 79572397

IUPAC1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-13-10-19(12-15(2,3)20-13)9-7-14-6-5-8-16(14,11-17)18-4/h13-14,18H,5-10,12H2,1-4H3
InChIKeyQXPLKHNUSRQCQB-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.16
Rot. Bonds4

About 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile

1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79572397) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79572397
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-13-10-19(12-15(2,3)20-13)9-7-14-6-5-8-16(14,11-17)18-4/h13-14,18H,5-10,12H2,1-4H3
InChIKeyQXPLKHNUSRQCQB-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.16
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
1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577634
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572116
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575948
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
N-methyl-1-[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
CID 55066907

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile (CID 79572397) is 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN1CC(C)OC(C)(C)C1.
What is the InChIKey of 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is QXPLKHNUSRQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-10-19(12-15(2,3)20-13)9-7-14-6-5-8-16(14,11-17)18-4/h13-14,18H,5-10,12H2,1-4H3.
What are the key properties of 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile?
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 279.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).