N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine

C7H12N2 — CID 89425047

IUPACN'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)3-5-9-6-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyIAKUTCSFULETDF-TYKJNVJLSA-N
MW124.19 g/mol
LogP1.88
Rot. Bonds3

About N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine

N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine (PubChem CID 89425047) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
PubChem CID89425047
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)3-5-9-6-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyIAKUTCSFULETDF-TYKJNVJLSA-N
XLogP1.88
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The IUPAC name of N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine (CID 89425047) is N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine is [H]/N=C/C=N/C=C\C(C)C.
What is the InChIKey of N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The InChIKey is IAKUTCSFULETDF-TYKJNVJLSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)3-5-9-6-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+.
What are the key properties of N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 89425047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).