4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol

C14H29NO — CID 115239935

IUPAC4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CCC(C)(C)C)CC1CCC(O)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)9-10-15(4)11-12-5-7-13(16)8-6-12/h12-13,16H,5-11H2,1-4H3
InChIKeyZCAFCNQOPJRLCM-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds4

About 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol

4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115239935) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol
PubChem CID115239935
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CCC(C)(C)C)CC1CCC(O)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)9-10-15(4)11-12-5-7-13(16)8-6-12/h12-13,16H,5-11H2,1-4H3
InChIKeyZCAFCNQOPJRLCM-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623569
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239943
4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062332
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]cyclohexan-1-ol
CID 115239951
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 146435600

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol (CID 115239935) is 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol is CN(CCC(C)(C)C)CC1CCC(O)CC1.
What is the InChIKey of 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZCAFCNQOPJRLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)9-10-15(4)11-12-5-7-13(16)8-6-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol?
4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).