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

C15H31NO — CID 79847016

IUPAC6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCCC(C)CN(CC)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)13-9-8-10-15(4,5)14(13)17/h12-14,17H,6-11H2,1-5H3
InChIKeyLBPKREZHNAYYFS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.29
Rot. Bonds5

About 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol

6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79847016) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
PubChem CID79847016
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCCC(C)CN(CC)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)13-9-8-10-15(4,5)14(13)17/h12-14,17H,6-11H2,1-5H3
InChIKeyLBPKREZHNAYYFS-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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Related Compounds

6-[bis(2-methylpropyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79834395
1-N-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289
3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
CID 165491164
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol
CID 79855584
6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79836124
2,2-dimethyl-6-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 79846844
2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79478118
3-[ethyl(2-methylbutyl)amino]oxan-4-ol
CID 115278519
5-[ethyl(propan-2-yl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79856812
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
CID 79640962

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol (CID 79847016) is 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol is CCC(C)CN(CC)C1CCCC(C)(C)C1O.
What is the InChIKey of 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is LBPKREZHNAYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-12(3)11-16(7-2)13-9-8-10-15(4,5)14(13)17/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol?
6-[ethyl(2-methylbutyl)amino]-2,2-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 6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79847016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).