2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol

C9H16N2O — CID 89395303

IUPAC2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol
SMILESNC1=C(/C=N/CCO)CCCC1
InChIInChI=1S/C9H16N2O/c10-9-4-2-1-3-8(9)7-11-5-6-12/h7,12H,1-6,10H2/b11-7+
InChIKeyJIAUKMVYYAWCNK-YRNVUSSQSA-N
MW168.24 g/mol
LogP0.84
Rot. Bonds3

About 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol

2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol (PubChem CID 89395303) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol.

Molecular Properties

Compound Name2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol
PubChem CID89395303
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol
SMILESNC1=C(/C=N/CCO)CCCC1
InChIInChI=1S/C9H16N2O/c10-9-4-2-1-3-8(9)7-11-5-6-12/h7,12H,1-6,10H2/b11-7+
InChIKeyJIAUKMVYYAWCNK-YRNVUSSQSA-N
XLogP0.84
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol?
The IUPAC name of 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol (CID 89395303) is 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol.
What is the SMILES notation for 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol?
The canonical SMILES for 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol is NC1=C(/C=N/CCO)CCCC1.
What is the InChIKey of 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol?
The InChIKey is JIAUKMVYYAWCNK-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9-4-2-1-3-8(9)7-11-5-6-12/h7,12H,1-6,10H2/b11-7+.
What are the key properties of 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol?
2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol has a molecular weight of 168.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexen-1-yl)methylideneamino]ethanol is sourced from PubChem (CID 89395303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).