(5Z)-2-methylhepta-1,5-diene-3,4-diimine

C8H12N2 — CID 134527534

IUPAC(5Z)-2-methylhepta-1,5-diene-3,4-diimine
SMILES[H]N=C(C(=C)C)C(/C=C\C)=N/[H]
InChIInChI=1S/C8H12N2/c1-4-5-7(9)8(10)6(2)3/h4-5,9-10H,2H2,1,3H3/b5-4-,9-7+,10-8+
InChIKeyJRFVCIUXRGNQTM-UHBVZDKRSA-N
MW136.20 g/mol
LogP2.18
Rot. Bonds3

About (5Z)-2-methylhepta-1,5-diene-3,4-diimine

(5Z)-2-methylhepta-1,5-diene-3,4-diimine (PubChem CID 134527534) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5Z)-2-methylhepta-1,5-diene-3,4-diimine.

Molecular Properties

Compound Name(5Z)-2-methylhepta-1,5-diene-3,4-diimine
PubChem CID134527534
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5Z)-2-methylhepta-1,5-diene-3,4-diimine
SMILES[H]N=C(C(=C)C)C(/C=C\C)=N/[H]
InChIInChI=1S/C8H12N2/c1-4-5-7(9)8(10)6(2)3/h4-5,9-10H,2H2,1,3H3/b5-4-,9-7+,10-8+
InChIKeyJRFVCIUXRGNQTM-UHBVZDKRSA-N
XLogP2.18
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.18
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylhepta-1,5-diene-3,4-diimine?
The IUPAC name of (5Z)-2-methylhepta-1,5-diene-3,4-diimine (CID 134527534) is (5Z)-2-methylhepta-1,5-diene-3,4-diimine.
What is the SMILES notation for (5Z)-2-methylhepta-1,5-diene-3,4-diimine?
The canonical SMILES for (5Z)-2-methylhepta-1,5-diene-3,4-diimine is [H]N=C(C(=C)C)C(/C=C\C)=N/[H].
What is the InChIKey of (5Z)-2-methylhepta-1,5-diene-3,4-diimine?
The InChIKey is JRFVCIUXRGNQTM-UHBVZDKRSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-7(9)8(10)6(2)3/h4-5,9-10H,2H2,1,3H3/b5-4-,9-7+,10-8+.
What are the key properties of (5Z)-2-methylhepta-1,5-diene-3,4-diimine?
(5Z)-2-methylhepta-1,5-diene-3,4-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylhepta-1,5-diene-3,4-diimine is sourced from PubChem (CID 134527534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).