2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol

C13H27NO — CID 115883452

IUPAC2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C)CC1CC
InChIInChI=1S/C13H27NO/c1-4-11-8-10(3)6-7-13(11)14-12(5-2)9-15/h10-15H,4-9H2,1-3H3
InChIKeyWDUOOVBTPSRXGX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol

2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol (PubChem CID 115883452) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
PubChem CID115883452
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C)CC1CC
InChIInChI=1S/C13H27NO/c1-4-11-8-10(3)6-7-13(11)14-12(5-2)9-15/h10-15H,4-9H2,1-3H3
InChIKeyWDUOOVBTPSRXGX-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

2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol
CID 115883514
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
2-ethyl-N-(1-methoxybutan-2-yl)cyclopropan-1-amine
CID 103783878

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol (CID 115883452) is 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol is CCC(CO)NC1CCC(C)CC1CC.
What is the InChIKey of 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol?
The InChIKey is WDUOOVBTPSRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-8-10(3)6-7-13(11)14-12(5-2)9-15/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol?
2-[(2-ethyl-4-methylcyclohexyl)amino]butan-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 2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 115883452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).