1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol

C13H27NO — CID 111113332

IUPAC1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CCC1CCCCC1)CC(C)(C)O
InChIInChI=1S/C13H27NO/c1-13(2,15)11-14(3)10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3
InChIKeyIDBQYSONWMESEV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds5

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

1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 111113332) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
PubChem CID111113332
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CCC1CCCCC1)CC(C)(C)O
InChIInChI=1S/C13H27NO/c1-13(2,15)11-14(3)10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3
InChIKeyIDBQYSONWMESEV-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
N-(chloromethyl)-2-cyclobutyl-N-methylethanamine
CID 115263599
3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134352
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol (CID 111113332) is 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol is CN(CCC1CCCCC1)CC(C)(C)O.
What is the InChIKey of 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is IDBQYSONWMESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15)11-14(3)10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol?
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111113332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).