[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol

C14H27NO2 — CID 103922946

IUPAC[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
SMILESCC1CC(C)CC(NC2(CO)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-11-7-12(2)9-13(8-11)15-14(10-16)3-5-17-6-4-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyPQEFFTWYALUJME-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.94
Rot. Bonds3

About [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol

[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol (PubChem CID 103922946) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
PubChem CID103922946
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
SMILESCC1CC(C)CC(NC2(CO)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-11-7-12(2)9-13(8-11)15-14(10-16)3-5-17-6-4-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyPQEFFTWYALUJME-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
CID 64753014
[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
CID 79899613
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
CID 103822681
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
[1-[(3,3-dimethylcyclobutyl)amino]cyclopropyl]methanol
CID 131176342
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81168184
[1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]cyclopentyl]methanol
CID 110011599
[4-(cyclopropylsulfamoylamino)oxan-4-yl]methanol
CID 106299127

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol (CID 103922946) is [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol is CC1CC(C)CC(NC2(CO)CCOCC2)C1.
What is the InChIKey of [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol?
The InChIKey is PQEFFTWYALUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-7-12(2)9-13(8-11)15-14(10-16)3-5-17-6-4-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol?
[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol has a molecular weight of 241.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 103922946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).