1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol

C17H31NO2 — CID 102011432

IUPAC1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol
SMILESCN(C)C/C(=C\C1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-18(2)14-15(17(20)11-7-4-8-12-17)13-16(19)9-5-3-6-10-16/h13,19-20H,3-12,14H2,1-2H3/b15-13+
InChIKeyJCDRAZBPZCJIHX-FYWRMAATSA-N
MW281.44 g/mol
LogP2.86
Rot. Bonds4

About 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol

1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol (PubChem CID 102011432) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol
PubChem CID102011432
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol
SMILESCN(C)C/C(=C\C1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-18(2)14-15(17(20)11-7-4-8-12-17)13-16(19)9-5-3-6-10-16/h13,19-20H,3-12,14H2,1-2H3/b15-13+
InChIKeyJCDRAZBPZCJIHX-FYWRMAATSA-N
XLogP2.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]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

Related Compounds

(Dimethylaminoethyl)bis(1-cyclohexenyl)-methanol
CID 54563448
4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol
CID 70995874
1-[(Z)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol
CID 11412110
4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohexen-1-yl)-1-ethylpiperidin-4-ol
CID 106650849
4-(Cyclohexen-1-yl)-1-propylpiperidin-4-ol
CID 106650852

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol (CID 102011432) is 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol is CN(C)C/C(=C\C1(O)CCCCC1)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol?
The InChIKey is JCDRAZBPZCJIHX-FYWRMAATSA-N. The full InChI is InChI=1S/C17H31NO2/c1-18(2)14-15(17(20)11-7-4-8-12-17)13-16(19)9-5-3-6-10-16/h13,19-20H,3-12,14H2,1-2H3/b15-13+.
What are the key properties of 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol?
1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(dimethylamino)-2-(1-hydroxycyclohexyl)prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 102011432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).