1-[(1-methylcyclohexyl)amino]ethanol

C9H19NO — CID 23342195

IUPAC1-[(1-methylcyclohexyl)amino]ethanol
SMILESCC(O)NC1(C)CCCCC1
InChIInChI=1S/C9H19NO/c1-8(11)10-9(2)6-4-3-5-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyHUDIJNNVTDQVEX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.64
Rot. Bonds2

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

1-[(1-methylcyclohexyl)amino]ethanol (PubChem CID 23342195) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[(1-methylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-[(1-methylcyclohexyl)amino]ethanol
PubChem CID23342195
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[(1-methylcyclohexyl)amino]ethanol
SMILESCC(O)NC1(C)CCCCC1
InChIInChI=1S/C9H19NO/c1-8(11)10-9(2)6-4-3-5-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyHUDIJNNVTDQVEX-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-[(1-methylcyclohexyl)amino]ethanol?
The IUPAC name of 1-[(1-methylcyclohexyl)amino]ethanol (CID 23342195) is 1-[(1-methylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-[(1-methylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-[(1-methylcyclohexyl)amino]ethanol is CC(O)NC1(C)CCCCC1.
What is the InChIKey of 1-[(1-methylcyclohexyl)amino]ethanol?
The InChIKey is HUDIJNNVTDQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(11)10-9(2)6-4-3-5-7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-[(1-methylcyclohexyl)amino]ethanol?
1-[(1-methylcyclohexyl)amino]ethanol has a molecular weight of 157.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclohexyl)amino]ethanol is sourced from PubChem (CID 23342195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).