1-[ethyl-(2-methylcyclohexyl)amino]ethanol

C11H23NO — CID 89249210

IUPAC1-[ethyl-(2-methylcyclohexyl)amino]ethanol
SMILESCCN(C(C)O)C1CCCCC1C
InChIInChI=1S/C11H23NO/c1-4-12(10(3)13)11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3
InChIKeyPBFLGSJRBIPVOW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.23
Rot. Bonds3

About 1-[ethyl-(2-methylcyclohexyl)amino]ethanol

1-[ethyl-(2-methylcyclohexyl)amino]ethanol (PubChem CID 89249210) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[ethyl-(2-methylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-[ethyl-(2-methylcyclohexyl)amino]ethanol
PubChem CID89249210
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[ethyl-(2-methylcyclohexyl)amino]ethanol
SMILESCCN(C(C)O)C1CCCCC1C
InChIInChI=1S/C11H23NO/c1-4-12(10(3)13)11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3
InChIKeyPBFLGSJRBIPVOW-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-methylcyclohexyl)amino]ethanol?
The IUPAC name of 1-[ethyl-(2-methylcyclohexyl)amino]ethanol (CID 89249210) is 1-[ethyl-(2-methylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-[ethyl-(2-methylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-[ethyl-(2-methylcyclohexyl)amino]ethanol is CCN(C(C)O)C1CCCCC1C.
What is the InChIKey of 1-[ethyl-(2-methylcyclohexyl)amino]ethanol?
The InChIKey is PBFLGSJRBIPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-12(10(3)13)11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[ethyl-(2-methylcyclohexyl)amino]ethanol?
1-[ethyl-(2-methylcyclohexyl)amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-methylcyclohexyl)amino]ethanol is sourced from PubChem (CID 89249210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).