[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol

C17H28N2O — CID 79571424

IUPAC[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN(C)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-14-6-4-8-16(12-14)19(3)11-9-15-7-5-10-17(15,13-20)18-2/h4,6,8,12,15,18,20H,5,7,9-11,13H2,1-3H3
InChIKeyKSOFTQKAKHAGKM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.57
Rot. Bonds6

About [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79571424) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79571424
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN(C)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-14-6-4-8-16(12-14)19(3)11-9-15-7-5-10-17(15,13-20)18-2/h4,6,8,12,15,18,20H,5,7,9-11,13H2,1-3H3
InChIKeyKSOFTQKAKHAGKM-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
[1-(methylamino)-2-[2-[methyl(2-phenylethyl)amino]ethyl]cyclopentyl]methanol
CID 79567364
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
1-(methylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565415
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
1-[(N,3-dimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 55055217
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
CID 63493505
[2-[2-[ethyl(2-methylpropyl)amino]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571940
[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571391

Frequently Asked Questions

What is the IUPAC name of [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol (CID 79571424) is [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCN(C)c1cccc(C)c1.
What is the InChIKey of [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is KSOFTQKAKHAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-4-8-16(12-14)19(3)11-9-15-7-5-10-17(15,13-20)18-2/h4,6,8,12,15,18,20H,5,7,9-11,13H2,1-3H3.
What are the key properties of [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).