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

C16H32N2O — CID 79571249

IUPAC[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)CC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-18(12-14-6-3-2-4-7-14)11-9-15-8-5-10-16(15,17)13-19/h14-15,19H,2-13,17H2,1H3
InChIKeyHHUMRICUUKHPAN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.38
Rot. Bonds6

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

[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol (PubChem CID 79571249) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
PubChem CID79571249
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)CC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-18(12-14-6-3-2-4-7-14)11-9-15-8-5-10-16(15,17)13-19/h14-15,19H,2-13,17H2,1H3
InChIKeyHHUMRICUUKHPAN-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79571201
[1-amino-2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571460
[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79567645
[1-amino-2-[2-(dibutylamino)ethyl]cyclopentyl]methanol
CID 79571226
[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
CID 79570968
[1-amino-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79571590
1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842509
[1-amino-2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentyl]methanol
CID 79571521
1-[2-[cyclopentylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79841858
[1-(methylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79571129
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
CID 115247051

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol (CID 79571249) is [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol is CN(CCC1CCCC1(N)CO)CC1CCCCC1.
What is the InChIKey of [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol?
The InChIKey is HHUMRICUUKHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-18(12-14-6-3-2-4-7-14)11-9-15-8-5-10-16(15,17)13-19/h14-15,19H,2-13,17H2,1H3.
What are the key properties of [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).