4-N-methylhexa-1,5-diene-3,4-diimine

C7H10N2 — CID 142810918

IUPAC4-N-methylhexa-1,5-diene-3,4-diimine
SMILES[H]/N=C(\C=C)C(C=C)=NC
InChIInChI=1S/C7H10N2/c1-4-6(8)7(5-2)9-3/h4-5,8H,1-2H2,3H3/b8-6+,9-7+
InChIKeyINSQVBJCXPZSOV-CDJQDVQCSA-N
MW122.17 g/mol
LogP1.45
Rot. Bonds3

About 4-N-methylhexa-1,5-diene-3,4-diimine

4-N-methylhexa-1,5-diene-3,4-diimine (PubChem CID 142810918) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-N-methylhexa-1,5-diene-3,4-diimine.

Molecular Properties

Compound Name4-N-methylhexa-1,5-diene-3,4-diimine
PubChem CID142810918
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-N-methylhexa-1,5-diene-3,4-diimine
SMILES[H]/N=C(\C=C)C(C=C)=NC
InChIInChI=1S/C7H10N2/c1-4-6(8)7(5-2)9-3/h4-5,8H,1-2H2,3H3/b8-6+,9-7+
InChIKeyINSQVBJCXPZSOV-CDJQDVQCSA-N
XLogP1.45
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methylpent-4-en-2-imine
CID 91448417
N-methyl-methyl-3-pentenylidenimine
CID 123242629
Butyrylathylenimin
CID 123726434
Hex-1-ene-3,4-diimine
CID 123827973
1-N,2-N-dimethylcyclohexa-3,4,5-triene-1,2-diimine
CID 20718665
N-methylpent-1-en-3-imine
CID 21718389
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(Z)-5-N-methylhex-3-ene-2,5-diimine
CID 89591069
2-Methyliminobut-3-enimidamide
CID 89684219
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593
Pent-1-en-3-imine
CID 91501817
Pent-1-en-3-ylidenecyanamide
CID 122608342

Frequently Asked Questions

What is the IUPAC name of 4-N-methylhexa-1,5-diene-3,4-diimine?
The IUPAC name of 4-N-methylhexa-1,5-diene-3,4-diimine (CID 142810918) is 4-N-methylhexa-1,5-diene-3,4-diimine.
What is the SMILES notation for 4-N-methylhexa-1,5-diene-3,4-diimine?
The canonical SMILES for 4-N-methylhexa-1,5-diene-3,4-diimine is [H]/N=C(\C=C)C(C=C)=NC.
What is the InChIKey of 4-N-methylhexa-1,5-diene-3,4-diimine?
The InChIKey is INSQVBJCXPZSOV-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-6(8)7(5-2)9-3/h4-5,8H,1-2H2,3H3/b8-6+,9-7+.
What are the key properties of 4-N-methylhexa-1,5-diene-3,4-diimine?
4-N-methylhexa-1,5-diene-3,4-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylhexa-1,5-diene-3,4-diimine is sourced from PubChem (CID 142810918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).