3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol

C13H27NO — CID 81411941

IUPAC3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,11-15)10-14-9-8-12-6-4-3-5-7-12/h12,14-15H,3-11H2,1-2H3
InChIKeyLIEOHUACBZNUII-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds6

About 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol

3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol (PubChem CID 81411941) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
PubChem CID81411941
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,11-15)10-14-9-8-12-6-4-3-5-7-12/h12,14-15H,3-11H2,1-2H3
InChIKeyLIEOHUACBZNUII-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
3-(2-cyclopropylethylamino)-2-methylpropane-1,2-diol
CID 66186922
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
CID 67866109
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
CID 81410855
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 115894985

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol (CID 81411941) is 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is LIEOHUACBZNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,11-15)10-14-9-8-12-6-4-3-5-7-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol?
3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).