(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine

C10H16N2 — CID 89257885

IUPAC(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine
SMILESC=C/N=C(C)/C=C/C=C/N(C)C
InChIInChI=1S/C10H16N2/c1-5-11-10(2)8-6-7-9-12(3)4/h5-9H,1H2,2-4H3/b8-6+,9-7+,11-10+
InChIKeyRJMFNEMWBBAIAR-IMJRHNHFSA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds4

About (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine

(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine (PubChem CID 89257885) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine
PubChem CID89257885
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine
SMILESC=C/N=C(C)/C=C/C=C/N(C)C
InChIInChI=1S/C10H16N2/c1-5-11-10(2)8-6-7-9-12(3)4/h5-9H,1H2,2-4H3/b8-6+,9-7+,11-10+
InChIKeyRJMFNEMWBBAIAR-IMJRHNHFSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
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 (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine (CID 89257885) is (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine is C=C/N=C(C)/C=C/C=C/N(C)C.
What is the InChIKey of (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine?
The InChIKey is RJMFNEMWBBAIAR-IMJRHNHFSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-11-10(2)8-6-7-9-12(3)4/h5-9H,1H2,2-4H3/b8-6+,9-7+,11-10+.
What are the key properties of (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine?
(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine is sourced from PubChem (CID 89257885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).