(Z)-4-N-propylidenebut-3-ene-2,4-diimine

C7H12N2 — CID 123598360

IUPAC(Z)-4-N-propylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C\CC
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-7(2)8/h4-6,8H,3H2,1-2H3/b6-4-,8-7+,9-5+
InChIKeyWKZAHJRIXJRXBS-XMORXVDMSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds3

About (Z)-4-N-propylidenebut-3-ene-2,4-diimine

(Z)-4-N-propylidenebut-3-ene-2,4-diimine (PubChem CID 123598360) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-4-N-propylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-propylidenebut-3-ene-2,4-diimine
PubChem CID123598360
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-4-N-propylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C\CC
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-7(2)8/h4-6,8H,3H2,1-2H3/b6-4-,8-7+,9-5+
InChIKeyWKZAHJRIXJRXBS-XMORXVDMSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrol-3-imine
CID 90911343
4-Amino-2-methyliminobut-3-enimidoyl fluoride
CID 174114701
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
4H-pyridin-3-imine
CID 21297587
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
CID 59932316
N-methyl-4H-pyridin-3-imine
CID 67496115
2-Methylpyridine-3,4-diimine
CID 68113813
2-Methyl-1,5-diazocine
CID 76548114
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-propylidenebut-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-propylidenebut-3-ene-2,4-diimine (CID 123598360) is (Z)-4-N-propylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-propylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-propylidenebut-3-ene-2,4-diimine is [H]/N=C(C)/C=C\N=C\CC.
What is the InChIKey of (Z)-4-N-propylidenebut-3-ene-2,4-diimine?
The InChIKey is WKZAHJRIXJRXBS-XMORXVDMSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-6-4-7(2)8/h4-6,8H,3H2,1-2H3/b6-4-,8-7+,9-5+.
What are the key properties of (Z)-4-N-propylidenebut-3-ene-2,4-diimine?
(Z)-4-N-propylidenebut-3-ene-2,4-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-propylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 123598360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).