(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine

C7H11N3 — CID 129096037

IUPAC(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine
SMILES[H]/N=C/C=C(N)\C(N)=C/C=C
InChIInChI=1S/C7H11N3/c1-2-3-6(9)7(10)4-5-8/h2-5,8H,1,9-10H2/b6-3+,7-4+,8-5+
InChIKeyKUGGRGCMFZSFCB-GQFDIYCXSA-N
MW137.19 g/mol
LogP0.51
Rot. Bonds3

About (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine

(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine (PubChem CID 129096037) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine.

Molecular Properties

Compound Name(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine
PubChem CID129096037
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine
SMILES[H]/N=C/C=C(N)\C(N)=C/C=C
InChIInChI=1S/C7H11N3/c1-2-3-6(9)7(10)4-5-8/h2-5,8H,1,9-10H2/b6-3+,7-4+,8-5+
InChIKeyKUGGRGCMFZSFCB-GQFDIYCXSA-N
XLogP0.51
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-iminopenta-1,3-dien-3-amine
CID 143613476
methyl (Z)-2-amino-4-iminobut-2-enoate
CID 144672680
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(Z)-1-imino-4,4-dimethylpent-2-en-3-amine
CID 143208767
(3E)-2-chlorohexa-1,3,5-trien-3-amine
CID 156824437
ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 162431356
hydron;(2E,4E,6E)-3-methylnona-2,4,6,8-tetraen-1-imine
CID 102008019
(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine
CID 101185007
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
(2Z,4E)-1-iminohepta-2,4-dien-3-amine
CID 155149105

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine?
The IUPAC name of (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine (CID 129096037) is (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine.
What is the SMILES notation for (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine?
The canonical SMILES for (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine is [H]/N=C/C=C(N)\C(N)=C/C=C.
What is the InChIKey of (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine?
The InChIKey is KUGGRGCMFZSFCB-GQFDIYCXSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-6(9)7(10)4-5-8/h2-5,8H,1,9-10H2/b6-3+,7-4+,8-5+.
What are the key properties of (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine?
(2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-iminohepta-2,4,6-triene-3,4-diamine is sourced from PubChem (CID 129096037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).