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

C11H19NO — CID 721231

IUPAC1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCN(C)CC#CC1(O)CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)10-6-9-11(13)7-4-3-5-8-11/h13H,3-5,7-8,10H2,1-2H3
InChIKeyXINTWJWDFNQRFH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds1

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

1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 721231) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol
PubChem CID721231
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCN(C)CC#CC1(O)CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)10-6-9-11(13)7-4-3-5-8-11/h13H,3-5,7-8,10H2,1-2H3
InChIKeyXINTWJWDFNQRFH-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
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-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol (CID 721231) is 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol is CN(C)CC#CC1(O)CCCCC1.
What is the InChIKey of 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is XINTWJWDFNQRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)10-6-9-11(13)7-4-3-5-8-11/h13H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 721231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).