2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine

C10H14N2 — CID 88976714

IUPAC2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(\C=C\C)C1=CC=CCC1N
InChIInChI=1S/C10H14N2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-6,10-11H,7,12H2,1H3/b5-2+,11-9+
InChIKeyKIINLRBWWGOMBC-LBPHOODGSA-N
MW162.24 g/mol
LogP1.80
Rot. Bonds2

About 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine

2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine (PubChem CID 88976714) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
PubChem CID88976714
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(\C=C\C)C1=CC=CCC1N
InChIInChI=1S/C10H14N2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-6,10-11H,7,12H2,1H3/b5-2+,11-9+
InChIKeyKIINLRBWWGOMBC-LBPHOODGSA-N
XLogP1.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.80
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 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine (CID 88976714) is 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine is [H]/N=C(\C=C\C)C1=CC=CCC1N.
What is the InChIKey of 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is KIINLRBWWGOMBC-LBPHOODGSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-6,10-11H,7,12H2,1H3/b5-2+,11-9+.
What are the key properties of 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine?
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 88976714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).