1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol

C13H25NO — CID 105400820

IUPAC1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
SMILESCCC1CCCCC1N1CCC(C)(O)C1
InChIInChI=1S/C13H25NO/c1-3-11-6-4-5-7-12(11)14-9-8-13(2,15)10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyLHUJUAPJWIFTKU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol

1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol (PubChem CID 105400820) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
PubChem CID105400820
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
SMILESCCC1CCCCC1N1CCC(C)(O)C1
InChIInChI=1S/C13H25NO/c1-3-11-6-4-5-7-12(11)14-9-8-13(2,15)10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyLHUJUAPJWIFTKU-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol
CID 103357582
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
CID 66203078
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
1-(2-aminocyclopentyl)-4-methylazepan-4-ol
CID 107407606
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 61470287
1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol
CID 103355613
1-cyclopentyl-4-methylazepan-4-ol
CID 107408390
[4-(2-ethylcyclohexyl)morpholin-2-yl]methanol
CID 81219544
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidin-3-ol
CID 103728756

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol (CID 105400820) is 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol is CCC1CCCCC1N1CCC(C)(O)C1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol?
The InChIKey is LHUJUAPJWIFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11-6-4-5-7-12(11)14-9-8-13(2,15)10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol?
1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 105400820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).