[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol

C16H32N2O — CID 79570968

IUPAC[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
SMILESCC1CCC(N(C)CCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H32N2O/c1-13-5-7-15(8-6-13)18(2)11-9-14-4-3-10-16(14,17)12-19/h13-15,19H,3-12,17H2,1-2H3
InChIKeyZZKLFODEYGLEEQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.38
Rot. Bonds5

About [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol (PubChem CID 79570968) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
PubChem CID79570968
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
SMILESCC1CCC(N(C)CCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H32N2O/c1-13-5-7-15(8-6-13)18(2)11-9-14-4-3-10-16(14,17)12-19/h13-15,19H,3-12,17H2,1-2H3
InChIKeyZZKLFODEYGLEEQ-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79571590
[1-amino-2-[2-(dibutylamino)ethyl]cyclopentyl]methanol
CID 79571226
[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
CID 79571249
[1-amino-2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571460
[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79571201
[1-amino-2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentyl]methanol
CID 79571521
[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
CID 79571282
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
1-amino-2-[2-[(1-ethylpiperidin-4-yl)-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79565781
1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol
CID 79586662
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol (CID 79570968) is [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol is CC1CCC(N(C)CCC2CCCC2(N)CO)CC1.
What is the InChIKey of [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol?
The InChIKey is ZZKLFODEYGLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-5-7-15(8-6-13)18(2)11-9-14-4-3-10-16(14,17)12-19/h13-15,19H,3-12,17H2,1-2H3.
What are the key properties of [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79570968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).