4-cyclopentylazepan-4-ol

C11H21NO — CID 83684103

IUPAC4-cyclopentylazepan-4-ol
SMILESOC1(C2CCCC2)CCCNCC1
InChIInChI=1S/C11H21NO/c13-11(10-4-1-2-5-10)6-3-8-12-9-7-11/h10,12-13H,1-9H2
InChIKeyXIVWCFZUJVDSBD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.68
Rot. Bonds1

About 4-cyclopentylazepan-4-ol

4-cyclopentylazepan-4-ol (PubChem CID 83684103) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-cyclopentylazepan-4-ol.

Molecular Properties

Compound Name4-cyclopentylazepan-4-ol
PubChem CID83684103
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-cyclopentylazepan-4-ol
SMILESOC1(C2CCCC2)CCCNCC1
InChIInChI=1S/C11H21NO/c13-11(10-4-1-2-5-10)6-3-8-12-9-7-11/h10,12-13H,1-9H2
InChIKeyXIVWCFZUJVDSBD-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylazepan-4-ol?
The IUPAC name of 4-cyclopentylazepan-4-ol (CID 83684103) is 4-cyclopentylazepan-4-ol.
What is the SMILES notation for 4-cyclopentylazepan-4-ol?
The canonical SMILES for 4-cyclopentylazepan-4-ol is OC1(C2CCCC2)CCCNCC1.
What is the InChIKey of 4-cyclopentylazepan-4-ol?
The InChIKey is XIVWCFZUJVDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-11(10-4-1-2-5-10)6-3-8-12-9-7-11/h10,12-13H,1-9H2.
What are the key properties of 4-cyclopentylazepan-4-ol?
4-cyclopentylazepan-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylazepan-4-ol is sourced from PubChem (CID 83684103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).