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

C15H26ClNO — CID 2827419

IUPAC1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCN2CCCCCC2)CCCCC1
InChIInChI=1S/C15H25NO.ClH/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;1H
InChIKeyUHLHDJVNICJESB-UHFFFAOYSA-N
MW271.83 g/mol
LogP2.98
Rot. Bonds1

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

1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride (PubChem CID 2827419) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride
PubChem CID2827419
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCN2CCCCCC2)CCCCC1
InChIInChI=1S/C15H25NO.ClH/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;1H
InChIKeyUHLHDJVNICJESB-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Pyrrolidin-1-yl-prop-1-ynyl)-cyclohexanol
CID 24747070
Cyclohexanol, 1-(5-(diethylamino)-1-pentynyl)-, hydrochloride
CID 3041022
Cyclohexanol, 1-(5-(1-piperidinyl)-1-pentynyl)-, hydrochloride
CID 3041024
1-(3-Piperidylprop-1-ynyl)cyclohexan-1-ol
CID 558690
1-(3-Azaperhydroepinylprop-1-ynyl)cyclohexan-1-ol
CID 744508
1-[5-(Diethylamino)pent-1-ynyl]cyclohexan-1-ol
CID 3041023
1-(3-Pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride
CID 53351769
1-(3-(Dibutylamino)prop-1-yn-1-yl)cyclohexanol
CID 1901621
1-[3-(Azepan-1-ium-1-yl)prop-1-ynyl]cyclohexan-1-ol
CID 3606071
1-[3-(Azepan-3-yl)prop-1-ynyl]cyclohexan-1-ol
CID 22299166
1-(Azepan-1-ylmethyl)cyclohexan-1-ol
CID 60723363
1-[3-(Dipropylamino)prop-1-ynyl]cyclohexan-1-ol
CID 102364145

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride (CID 2827419) is 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride is Cl.OC1(C#CCN2CCCCCC2)CCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is UHLHDJVNICJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/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;1H.
What are the key properties of 1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride?
1-[3-(azepan-1-yl)prop-1-ynyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 2.98, 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;hydrochloride is sourced from PubChem (CID 2827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).