5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol

C17H31NO — CID 79855662

IUPAC5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCCC2C2CCCC2)C1O
InChIInChI=1S/C17H31NO/c1-17(2)10-9-14(16(17)19)12-18-11-5-8-15(18)13-6-3-4-7-13/h13-16,19H,3-12H2,1-2H3
InChIKeyPLJFCPIOUZEMII-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.44
Rot. Bonds3

About 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol

5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855662) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79855662
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCCC2C2CCCC2)C1O
InChIInChI=1S/C17H31NO/c1-17(2)10-9-14(16(17)19)12-18-11-5-8-15(18)13-6-3-4-7-13/h13-16,19H,3-12H2,1-2H3
InChIKeyPLJFCPIOUZEMII-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol (CID 79855662) is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCC(CN2CCCC2C2CCCC2)C1O.
What is the InChIKey of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is PLJFCPIOUZEMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2)10-9-14(16(17)19)12-18-11-5-8-15(18)13-6-3-4-7-13/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).