2-(4-methylazepan-1-yl)cyclopentan-1-ol

C12H23NO — CID 63622455

IUPAC2-(4-methylazepan-1-yl)cyclopentan-1-ol
SMILESCC1CCCN(C2CCCC2O)CC1
InChIInChI=1S/C12H23NO/c1-10-4-3-8-13(9-7-10)11-5-2-6-12(11)14/h10-12,14H,2-9H2,1H3
InChIKeyXZGPACHGKQBJFF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-methylazepan-1-yl)cyclopentan-1-ol

2-(4-methylazepan-1-yl)cyclopentan-1-ol (PubChem CID 63622455) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)cyclopentan-1-ol
PubChem CID63622455
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(4-methylazepan-1-yl)cyclopentan-1-ol
SMILESCC1CCCN(C2CCCC2O)CC1
InChIInChI=1S/C12H23NO/c1-10-4-3-8-13(9-7-10)11-5-2-6-12(11)14/h10-12,14H,2-9H2,1H3
InChIKeyXZGPACHGKQBJFF-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(4-methylazepan-1-yl)cyclopentan-1-ol (CID 63622455) is 2-(4-methylazepan-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-methylazepan-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(4-methylazepan-1-yl)cyclopentan-1-ol is CC1CCCN(C2CCCC2O)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)cyclopentan-1-ol?
The InChIKey is XZGPACHGKQBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-3-8-13(9-7-10)11-5-2-6-12(11)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(4-methylazepan-1-yl)cyclopentan-1-ol?
2-(4-methylazepan-1-yl)cyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 63622455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).