[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol

C14H29NO — CID 62271498

IUPAC[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(C)N(C)CC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)15(4)10-14(11-16)8-6-5-7-9-14/h12-13,16H,5-11H2,1-4H3
InChIKeyANKURBHQMTVBLA-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds5

About [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol

[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 62271498) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID62271498
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(C)N(C)CC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)15(4)10-14(11-16)8-6-5-7-9-14/h12-13,16H,5-11H2,1-4H3
InChIKeyANKURBHQMTVBLA-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclopentyl]methanol
CID 62266180
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
CID 65009626
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
CID 65004499
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
CID 79490750
[1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62266701
[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methanol
CID 81074081
[1-[[amino(methyl)amino]methyl]cyclobutyl]methanol
CID 105428679
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol (CID 62271498) is [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol is CC(C)C(C)N(C)CC1(CO)CCCCC1.
What is the InChIKey of [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ANKURBHQMTVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)13(3)15(4)10-14(11-16)8-6-5-7-9-14/h12-13,16H,5-11H2,1-4H3.
What are the key properties of [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol?
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62271498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).