2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol

C12H23NO — CID 115631946

IUPAC2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2,12,14H,1,3-11H2
InChIKeyTXUCBYJDGIKQFU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds6

About 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol

2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol (PubChem CID 115631946) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol
PubChem CID115631946
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2,12,14H,1,3-11H2
InChIKeyTXUCBYJDGIKQFU-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol 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-(Cyclohexylmethyl)piperidine;prop-2-en-1-ol
CID 143571269
2-[(2-Methylcyclohexyl)methyl-prop-2-enylamino]ethanol
CID 104523974
2-[(3-Ethylcyclohexyl)methyl-prop-2-enylamino]ethanol
CID 104523977
2-[2-Ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
2-[[4-(Aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol
CID 104963641
4-[Cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol
CID 111118061
3-[Cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol
CID 111118062
2-[Cyclopentylmethyl(prop-2-enyl)amino]ethanol
CID 115631817
1-[[2-Hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol
CID 115773203
2-[2-Ethylbutyl(prop-2-enyl)amino]ethanol
CID 115875421
2-[(3,5-Dimethylcyclohexyl)-prop-2-enylamino]ethanol
CID 115883197
2-[Cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol
CID 115883205

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol (CID 115631946) is 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol?
The InChIKey is TXUCBYJDGIKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2,12,14H,1,3-11H2.
What are the key properties of 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol?
2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115631946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).