(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine

C9H14N2 — CID 129089320

IUPAC(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine
SMILES[H]/N=C/C(=C/C(=C)C)/C(C)=C\N
InChIInChI=1S/C9H14N2/c1-7(2)4-9(6-11)8(3)5-10/h4-6,11H,1,10H2,2-3H3/b8-5-,9-4-,11-6+
InChIKeyVUKWQPJQCLNLMF-VBYWYJJVSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds3

About (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine

(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 129089320) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine
PubChem CID129089320
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine
SMILES[H]/N=C/C(=C/C(=C)C)/C(C)=C\N
InChIInChI=1S/C9H14N2/c1-7(2)4-9(6-11)8(3)5-10/h4-6,11H,1,10H2,2-3H3/b8-5-,9-4-,11-6+
InChIKeyVUKWQPJQCLNLMF-VBYWYJJVSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine (CID 129089320) is (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine is [H]/N=C/C(=C/C(=C)C)/C(C)=C\N.
What is the InChIKey of (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is VUKWQPJQCLNLMF-VBYWYJJVSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)4-9(6-11)8(3)5-10/h4-6,11H,1,10H2,2-3H3/b8-5-,9-4-,11-6+.
What are the key properties of (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine?
(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 129089320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).