2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol

C14H27NO — CID 104523977

IUPAC2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-3-8-15(9-10-16)12-14-7-5-6-13(4-2)11-14/h3,13-14,16H,1,4-12H2,2H3
InChIKeyUTBXOTCVZPMUGT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.68
Rot. Bonds7

About 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol

2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol (PubChem CID 104523977) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol
PubChem CID104523977
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-3-8-15(9-10-16)12-14-7-5-6-13(4-2)11-14/h3,13-14,16H,1,4-12H2,2H3
InChIKeyUTBXOTCVZPMUGT-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.68
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-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol (CID 104523977) is 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)CC1CCCC(CC)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is UTBXOTCVZPMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-8-15(9-10-16)12-14-7-5-6-13(4-2)11-14/h3,13-14,16H,1,4-12H2,2H3.
What are the key properties of 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol?
2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 104523977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).