4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol

C15H29NO — CID 106594675

IUPAC4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
SMILESCC1CCCC(CCNC2CCC(O)CC2)C1
InChIInChI=1S/C15H29NO/c1-12-3-2-4-13(11-12)9-10-16-14-5-7-15(17)8-6-14/h12-17H,2-11H2,1H3
InChIKeyATYANRODVQSCQY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol

4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol (PubChem CID 106594675) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
PubChem CID106594675
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
SMILESCC1CCCC(CCNC2CCC(O)CC2)C1
InChIInChI=1S/C15H29NO/c1-12-3-2-4-13(11-12)9-10-16-14-5-7-15(17)8-6-14/h12-17H,2-11H2,1H3
InChIKeyATYANRODVQSCQY-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyclobutylethylamino)cyclohexan-1-ol
CID 106595151
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol (CID 106594675) is 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol is CC1CCCC(CCNC2CCC(O)CC2)C1.
What is the InChIKey of 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol?
The InChIKey is ATYANRODVQSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-3-2-4-13(11-12)9-10-16-14-5-7-15(17)8-6-14/h12-17H,2-11H2,1H3.
What are the key properties of 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol?
4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 106594675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).