1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol

C15H25NO — CID 744508

IUPAC1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol
SMILESOC1(C#CCN2CCCCCC2)CCCCC1
InChIInChI=1S/C15H25NO/c17-15(9-4-3-5-10-15)11-8-14-16-12-6-1-2-7-13-16/h17H,1-7,9-10,12-14H2
InChIKeyKIZAODKUFDDCRP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.56
Rot. Bonds1

About 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol

1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 744508) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol
PubChem CID744508
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol
SMILESOC1(C#CCN2CCCCCC2)CCCCC1
InChIInChI=1S/C15H25NO/c17-15(9-4-3-5-10-15)11-8-14-16-12-6-1-2-7-13-16/h17H,1-7,9-10,12-14H2
InChIKeyKIZAODKUFDDCRP-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol (CID 744508) is 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol is OC1(C#CCN2CCCCCC2)CCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is KIZAODKUFDDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(9-4-3-5-10-15)11-8-14-16-12-6-1-2-7-13-16/h17H,1-7,9-10,12-14H2.
What are the key properties of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 744508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).