1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol

C14H25NO — CID 134924288

IUPAC1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
SMILESOC(CNC1CCCCC1)C1CC=CCC1
InChIInChI=1S/C14H25NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3,12-16H,2,4-11H2
InChIKeyZFRMAABLMJLGLE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol

1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol (PubChem CID 134924288) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
PubChem CID134924288
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
SMILESOC(CNC1CCCCC1)C1CC=CCC1
InChIInChI=1S/C14H25NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3,12-16H,2,4-11H2
InChIKeyZFRMAABLMJLGLE-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
m-Hydroxypseudoephedrine
CID 129705379
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
2-Cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044928
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol?
The IUPAC name of 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol (CID 134924288) is 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol is OC(CNC1CCCCC1)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol?
The InChIKey is ZFRMAABLMJLGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3,12-16H,2,4-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol?
1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol has a molecular weight of 223.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol is sourced from PubChem (CID 134924288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).