4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol

C15H29NO — CID 83221424

IUPAC4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2C(C)CCC2CC)C1
InChIInChI=1S/C15H29NO/c1-4-12-7-9-15(17)14(10-12)16-11(3)6-8-13(16)5-2/h11-15,17H,4-10H2,1-3H3
InChIKeyXGYIQLVXYNAOAX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds3

About 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol

4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 83221424) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID83221424
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2C(C)CCC2CC)C1
InChIInChI=1S/C15H29NO/c1-4-12-7-9-15(17)14(10-12)16-11(3)6-8-13(16)5-2/h11-15,17H,4-10H2,1-3H3
InChIKeyXGYIQLVXYNAOAX-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol (CID 83221424) is 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol is CCC1CCC(O)C(N2C(C)CCC2CC)C1.
What is the InChIKey of 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is XGYIQLVXYNAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-12-7-9-15(17)14(10-12)16-11(3)6-8-13(16)5-2/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol?
4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 83221424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).