2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

C13H23NO — CID 103277767

IUPAC2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NC2CC2)C1
InChIInChI=1S/C13H23NO/c1-9-5-10(2)7-11(6-9)13(8-15)14-12-3-4-12/h5,9,11-15H,3-4,6-8H2,1-2H3
InChIKeyHOPUXSJACFFNSD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.09
Rot. Bonds4

About 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 103277767) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID103277767
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NC2CC2)C1
InChIInChI=1S/C13H23NO/c1-9-5-10(2)7-11(6-9)13(8-15)14-12-3-4-12/h5,9,11-15H,3-4,6-8H2,1-2H3
InChIKeyHOPUXSJACFFNSD-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)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

2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
[3-Methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 73083020
(Cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017600
(3-Cyclohex-2-en-1-yl-2-methylaziridin-2-yl)methanol
CID 89212077
4-[(3-Cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
CID 91205271
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
3-[4-[2-(Prop-2-ynylamino)propyl]cyclohexen-1-yl]propan-1-ol
CID 129045839
(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
CID 142141543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (CID 103277767) is 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)CC(C(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is HOPUXSJACFFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-5-10(2)7-11(6-9)13(8-15)14-12-3-4-12/h5,9,11-15H,3-4,6-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 209.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 103277767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).