2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol

C12H23NO — CID 115883224

IUPAC2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C1CCCC(C)C1
InChIInChI=1S/C12H23NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h3,11-12,14H,1,4-10H2,2H3
InChIKeyQYHZIOVQTVQPJJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds5

About 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol

2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol (PubChem CID 115883224) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol
PubChem CID115883224
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C1CCCC(C)C1
InChIInChI=1S/C12H23NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h3,11-12,14H,1,4-10H2,2H3
InChIKeyQYHZIOVQTVQPJJ-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol (CID 115883224) is 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol is C=CCN(CCO)C1CCCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol?
The InChIKey is QYHZIOVQTVQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol?
2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 115883224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).