3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol

C15H31NO — CID 165491164

IUPAC3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCC(C)CN(CC)C1CC(O)CCC1(C)C
InChIInChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)14-10-13(17)8-9-15(14,4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyCBTIHDYIQRPTMB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.29
Rot. Bonds5

About 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol

3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol (PubChem CID 165491164) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
PubChem CID165491164
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCC(C)CN(CC)C1CC(O)CCC1(C)C
InChIInChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)14-10-13(17)8-9-15(14,4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyCBTIHDYIQRPTMB-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol (CID 165491164) is 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol is CCC(C)CN(CC)C1CC(O)CCC1(C)C.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is CBTIHDYIQRPTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)14-10-13(17)8-9-15(14,4)5/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165491164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).