2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol

C13H25NO — CID 115883197

IUPAC2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-5-14(6-7-15)13-9-11(2)8-12(3)10-13/h4,11-13,15H,1,5-10H2,2-3H3
InChIKeyDZTOOCLONPOARR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.29
Rot. Bonds5

About 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol

2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol (PubChem CID 115883197) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol
PubChem CID115883197
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-5-14(6-7-15)13-9-11(2)8-12(3)10-13/h4,11-13,15H,1,5-10H2,2-3H3
InChIKeyDZTOOCLONPOARR-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol (CID 115883197) is 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol is C=CCN(CCO)C1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol?
The InChIKey is DZTOOCLONPOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-14(6-7-15)13-9-11(2)8-12(3)10-13/h4,11-13,15H,1,5-10H2,2-3H3.
What are the key properties of 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol?
2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 115883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).