6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine

C9H14N2 — CID 143155737

IUPAC6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C(\C)C1=CCCC=C1NC
InChIInChI=1S/C9H14N2/c1-7(10)8-5-3-4-6-9(8)11-2/h5-6,10-11H,3-4H2,1-2H3/b10-7+
InChIKeyGHOLZTKIBXAAHL-JXMROGBWSA-N
MW150.22 g/mol
LogP1.85
Rot. Bonds2

About 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine

6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143155737) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID143155737
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C(\C)C1=CCCC=C1NC
InChIInChI=1S/C9H14N2/c1-7(10)8-5-3-4-6-9(8)11-2/h5-6,10-11H,3-4H2,1-2H3/b10-7+
InChIKeyGHOLZTKIBXAAHL-JXMROGBWSA-N
XLogP1.85
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine (CID 143155737) is 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine is [H]/N=C(\C)C1=CCCC=C1NC.
What is the InChIKey of 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is GHOLZTKIBXAAHL-JXMROGBWSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(10)8-5-3-4-6-9(8)11-2/h5-6,10-11H,3-4H2,1-2H3/b10-7+.
What are the key properties of 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine?
6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).