1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile

C10H18N2O — CID 79856582

IUPAC1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCCC1(C#N)NCCO
InChIInChI=1S/C10H18N2O/c1-9(2)4-3-5-10(9,8-11)12-6-7-13/h12-13H,3-7H2,1-2H3
InChIKeyFQRZVCKLJFPDOP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile

1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile (PubChem CID 79856582) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile
PubChem CID79856582
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCCC1(C#N)NCCO
InChIInChI=1S/C10H18N2O/c1-9(2)4-3-5-10(9,8-11)12-6-7-13/h12-13H,3-7H2,1-2H3
InChIKeyFQRZVCKLJFPDOP-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
CID 164659287
1-(2-chloroanilino)-2,2-dimethylcyclopentane-1-carbonitrile
CID 79857486
acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol
CID 157432862
10-(methylamino)spiro[4.5]decane-10-carbonitrile
CID 130592844
2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile
CID 79857140
[2,2-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
CID 79863059
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717
1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
CID 28702725
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
ethane;2-[(1-ethylcyclopropyl)amino]ethanol
CID 177193430
2,2-dimethyl-1-(3-methylanilino)cyclohexane-1-carbonitrile
CID 79847041

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile (CID 79856582) is 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile is CC1(C)CCCC1(C#N)NCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile?
The InChIKey is FQRZVCKLJFPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)4-3-5-10(9,8-11)12-6-7-13/h12-13H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile?
1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79856582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).