(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine

C9H13N3 — CID 146426453

IUPAC(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
SMILESC=CC(=N\C=C/N=C)/C(N)=C\C
InChIInChI=1S/C9H13N3/c1-4-8(10)9(5-2)12-7-6-11-3/h4-7H,2-3,10H2,1H3/b7-6-,8-4+,12-9+
InChIKeyQWMBWKISVTZCMI-KSKFPXHBSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds4

About (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine

(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine (PubChem CID 146426453) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine.

Molecular Properties

Compound Name(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
PubChem CID146426453
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
SMILESC=CC(=N\C=C/N=C)/C(N)=C\C
InChIInChI=1S/C9H13N3/c1-4-8(10)9(5-2)12-7-6-11-3/h4-7H,2-3,10H2,1H3/b7-6-,8-4+,12-9+
InChIKeyQWMBWKISVTZCMI-KSKFPXHBSA-N
XLogP1.65
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine
CID 143342843
(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
methyl (E)-2-amino-N-ethenylbut-2-enimidate
CID 143656646
(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89331751
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011
(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
CID 134360187
(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
CID 129096112
N-[(1Z)-buta-1,3-dienyl]methanimine;ethane
CID 90844285
(3E,5E)-octa-1,3,5,7-tetraene-3,6-diamine
CID 129109676
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine?
The IUPAC name of (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine (CID 146426453) is (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine.
What is the SMILES notation for (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine?
The canonical SMILES for (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine is C=CC(=N\C=C/N=C)/C(N)=C\C.
What is the InChIKey of (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine?
The InChIKey is QWMBWKISVTZCMI-KSKFPXHBSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-8(10)9(5-2)12-7-6-11-3/h4-7H,2-3,10H2,1H3/b7-6-,8-4+,12-9+.
What are the key properties of (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine?
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine is sourced from PubChem (CID 146426453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).