4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol

C12H23NO — CID 171106708

IUPAC4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol
SMILESC=C(O)C(CC1CCCCC1)N(C)C
InChIInChI=1S/C12H23NO/c1-10(14)12(13(2)3)9-11-7-5-4-6-8-11/h11-12,14H,1,4-9H2,2-3H3
InChIKeyOUEWNNMZTSTGBY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.96
Rot. Bonds4

About 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol

4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol (PubChem CID 171106708) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol
PubChem CID171106708
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol
SMILESC=C(O)C(CC1CCCCC1)N(C)C
InChIInChI=1S/C12H23NO/c1-10(14)12(13(2)3)9-11-7-5-4-6-8-11/h11-12,14H,1,4-9H2,2-3H3
InChIKeyOUEWNNMZTSTGBY-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-cyclohexyl-3-(dimethylamino)but-1-en-2-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 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol?
The IUPAC name of 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol (CID 171106708) is 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol.
What is the SMILES notation for 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol?
The canonical SMILES for 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol is C=C(O)C(CC1CCCCC1)N(C)C.
What is the InChIKey of 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol?
The InChIKey is OUEWNNMZTSTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(14)12(13(2)3)9-11-7-5-4-6-8-11/h11-12,14H,1,4-9H2,2-3H3.
What are the key properties of 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol?
4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(dimethylamino)but-1-en-2-ol is sourced from PubChem (CID 171106708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).