3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol

C13H27NO — CID 81412355

IUPAC3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
SMILESCCC1CCC(NCC(C)(C)CO)CC1
InChIInChI=1S/C13H27NO/c1-4-11-5-7-12(8-6-11)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyJGCMHOQGTWLVHC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol

3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 81412355) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID81412355
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
SMILESCCC1CCC(NCC(C)(C)CO)CC1
InChIInChI=1S/C13H27NO/c1-4-11-5-7-12(8-6-11)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyJGCMHOQGTWLVHC-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817814
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-(3-cyclopentyl-2,2-dimethylpropyl)cyclopropanamine
CID 62723939
2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 112682236
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
2,2-dimethyl-3-[(3-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 107448688
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol (CID 81412355) is 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol is CCC1CCC(NCC(C)(C)CO)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is JGCMHOQGTWLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-5-7-12(8-6-11)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol?
3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81412355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).