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

C13H25NO — CID 104523974

IUPAC2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCCCC1C
InChIInChI=1S/C13H25NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3,12-13,15H,1,4-11H2,2H3
InChIKeyKDYQLCXCQQHHBI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.29
Rot. Bonds6

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

2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol (PubChem CID 104523974) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol
PubChem CID104523974
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCCCC1C
InChIInChI=1S/C13H25NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3,12-13,15H,1,4-11H2,2H3
InChIKeyKDYQLCXCQQHHBI-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol (CID 104523974) is 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)CC1CCCCC1C.
What is the InChIKey of 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is KDYQLCXCQQHHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol?
2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 104523974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).