2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol

C17H31NO — CID 64750705

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(N2CCCC2C2CCCC2)C(O)C1
InChIInChI=1S/C17H31NO/c1-12-10-13(2)17(16(19)11-12)18-9-5-8-15(18)14-6-3-4-7-14/h12-17,19H,3-11H2,1-2H3
InChIKeyZTJSRCDSBNUQMQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.44
Rot. Bonds2

About 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol

2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64750705) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64750705
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(N2CCCC2C2CCCC2)C(O)C1
InChIInChI=1S/C17H31NO/c1-12-10-13(2)17(16(19)11-12)18-9-5-8-15(18)14-6-3-4-7-14/h12-17,19H,3-11H2,1-2H3
InChIKeyZTJSRCDSBNUQMQ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol (CID 64750705) is 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(N2CCCC2C2CCCC2)C(O)C1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is ZTJSRCDSBNUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12-10-13(2)17(16(19)11-12)18-9-5-8-15(18)14-6-3-4-7-14/h12-17,19H,3-11H2,1-2H3.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol?
2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64750705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).