1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol

C15H27NO — CID 102364145

IUPAC1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCCCN(CC#CC1(O)CCCCC1)CCC
InChIInChI=1S/C15H27NO/c1-3-12-16(13-4-2)14-8-11-15(17)9-6-5-7-10-15/h17H,3-7,9-10,12-14H2,1-2H3
InChIKeyJPRSIRWVBWFEHA-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.81
Rot. Bonds5

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

1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 102364145) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol
PubChem CID102364145
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCCCN(CC#CC1(O)CCCCC1)CCC
InChIInChI=1S/C15H27NO/c1-3-12-16(13-4-2)14-8-11-15(17)9-6-5-7-10-15/h17H,3-7,9-10,12-14H2,1-2H3
InChIKeyJPRSIRWVBWFEHA-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol (CID 102364145) is 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol is CCCN(CC#CC1(O)CCCCC1)CCC.
What is the InChIKey of 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is JPRSIRWVBWFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12-16(13-4-2)14-8-11-15(17)9-6-5-7-10-15/h17H,3-7,9-10,12-14H2,1-2H3.
What are the key properties of 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dipropylamino)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 102364145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).