1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol

C16H31NO2 — CID 103157916

IUPAC1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(O)CC2CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-13-5-4-8-16(19,10-13)12-17-11-15(18)9-14-6-2-3-7-14/h13-15,17-19H,2-12H2,1H3
InChIKeyAZOQMICCJKOZEN-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.46
Rot. Bonds6

About 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 103157916) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID103157916
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(O)CC2CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-13-5-4-8-16(19,10-13)12-17-11-15(18)9-14-6-2-3-7-14/h13-15,17-19H,2-12H2,1H3
InChIKeyAZOQMICCJKOZEN-UHFFFAOYSA-N
XLogP2.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
1-[[(2-methoxycyclohexyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117161

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol (CID 103157916) is 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCC(O)CC2CCCC2)C1.
What is the InChIKey of 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is AZOQMICCJKOZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13-5-4-8-16(19,10-13)12-17-11-15(18)9-14-6-2-3-7-14/h13-15,17-19H,2-12H2,1H3.
What are the key properties of 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 103157916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).