3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol

C14H29NO — CID 115134352

IUPAC3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
SMILESCN(CCC1CCCCC1)C(C)(C)CCO
InChIInChI=1S/C14H29NO/c1-14(2,10-12-16)15(3)11-9-13-7-5-4-6-8-13/h13,16H,4-12H2,1-3H3
InChIKeyMUAJIEWOKBEPEJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds6

About 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol

3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol (PubChem CID 115134352) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
PubChem CID115134352
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
SMILESCN(CCC1CCCCC1)C(C)(C)CCO
InChIInChI=1S/C14H29NO/c1-14(2,10-12-16)15(3)11-9-13-7-5-4-6-8-13/h13,16H,4-12H2,1-3H3
InChIKeyMUAJIEWOKBEPEJ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134351
3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
CID 115134356
2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133046
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
CID 115128935
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
2-cyclohexyl-N-methoxy-N-methylethanamine
CID 118335784
1,3-bis(2-cyclopentylethyl)-1,3-dimethylthiourea
CID 18716766
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
4-[2-cyclohexylethyl(methyl)amino]cyclohexan-1-ol
CID 115149623

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol (CID 115134352) is 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol is CN(CCC1CCCCC1)C(C)(C)CCO.
What is the InChIKey of 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol?
The InChIKey is MUAJIEWOKBEPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,10-12-16)15(3)11-9-13-7-5-4-6-8-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol?
3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).