4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine

C10H14N2 — CID 139356744

IUPAC4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(\C)C1=CCC(NC=C)C=C1
InChIInChI=1S/C10H14N2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h3-6,10-12H,1,7H2,2H3/b11-8+
InChIKeyVAVSAJQKBOUOFX-DHZHZOJOSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds3

About 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine

4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine (PubChem CID 139356744) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine
PubChem CID139356744
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(\C)C1=CCC(NC=C)C=C1
InChIInChI=1S/C10H14N2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h3-6,10-12H,1,7H2,2H3/b11-8+
InChIKeyVAVSAJQKBOUOFX-DHZHZOJOSA-N
XLogP2.01
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
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 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine (CID 139356744) is 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine is [H]/N=C(\C)C1=CCC(NC=C)C=C1.
What is the InChIKey of 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine?
The InChIKey is VAVSAJQKBOUOFX-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h3-6,10-12H,1,7H2,2H3/b11-8+.
What are the key properties of 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine?
4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139356744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).