(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine

C8H12N2 — CID 142810802

IUPAC(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine
SMILES[H]/N=C(\C=C)C(/C=C\C)=NC
InChIInChI=1S/C8H12N2/c1-4-6-8(10-3)7(9)5-2/h4-6,9H,2H2,1,3H3/b6-4-,9-7+,10-8-
InChIKeyINZIRFFBWHWRED-RHCKXKOZSA-N
MW136.20 g/mol
LogP1.84
Rot. Bonds3

About (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine

(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine (PubChem CID 142810802) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine.

Molecular Properties

Compound Name(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine
PubChem CID142810802
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine
SMILES[H]/N=C(\C=C)C(/C=C\C)=NC
InChIInChI=1S/C8H12N2/c1-4-6-8(10-3)7(9)5-2/h4-6,9H,2H2,1,3H3/b6-4-,9-7+,10-8-
InChIKeyINZIRFFBWHWRED-RHCKXKOZSA-N
XLogP1.84
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.84
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

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CID 58693567
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(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885
4-Imino-N,N-dimethylcyclohexa-2,5-dien-1-iminium
CID 54531807
N-methylcyclopent-2-en-1-imine
CID 58544010
2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 59789006
(E)-hex-4-en-3-imine
CID 60088695
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CID 70148626

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine?
The IUPAC name of (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine (CID 142810802) is (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine.
What is the SMILES notation for (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine?
The canonical SMILES for (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine is [H]/N=C(\C=C)C(/C=C\C)=NC.
What is the InChIKey of (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine?
The InChIKey is INZIRFFBWHWRED-RHCKXKOZSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6-8(10-3)7(9)5-2/h4-6,9H,2H2,1,3H3/b6-4-,9-7+,10-8-.
What are the key properties of (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine?
(5Z)-4-N-methylhepta-1,5-diene-3,4-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-N-methylhepta-1,5-diene-3,4-diimine is sourced from PubChem (CID 142810802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).