3-N-propan-2-ylidenebut-3-ene-2,3-diimine

C7H12N2 — CID 123251227

IUPAC3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+
InChIKeyQYVFHAZFOCDHMJ-SOFGYWHQSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About 3-N-propan-2-ylidenebut-3-ene-2,3-diimine

3-N-propan-2-ylidenebut-3-ene-2,3-diimine (PubChem CID 123251227) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-N-propan-2-ylidenebut-3-ene-2,3-diimine.

Molecular Properties

Compound Name3-N-propan-2-ylidenebut-3-ene-2,3-diimine
PubChem CID123251227
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+
InChIKeyQYVFHAZFOCDHMJ-SOFGYWHQSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

3-[(E)-1-fluoroprop-1-enyl]iminobut-1-en-2-amine
CID 173988759
2-N-methyl-3-N-methylidenebut-3-ene-2,3-diimine
CID 57620559
N-methyl-3-methyliminobut-1-en-2-amine
CID 58898686
2,5-Dimethyl-3,6-dimethylidenepyrazine
CID 59775898
3-[(Z)-2-aminoprop-1-enyl]iminobut-1-en-2-amine
CID 88216553
3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
CID 89054135
3,6-dimethyl-5-methylidene-2H-pyrazine
CID 91408963
3-N-ethylidenebut-3-ene-2,3-diimine
CID 123502237
3-N-butan-2-ylidenebut-3-ene-2,3-diimine
CID 123646481
2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine
CID 123821950
(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine
CID 126593423
5-Methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine
CID 134266560

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The IUPAC name of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine (CID 123251227) is 3-N-propan-2-ylidenebut-3-ene-2,3-diimine.
What is the SMILES notation for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The canonical SMILES for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine is [H]/N=C(\C)C(=C)N=C(C)C.
What is the InChIKey of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The InChIKey is QYVFHAZFOCDHMJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+.
What are the key properties of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
3-N-propan-2-ylidenebut-3-ene-2,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine is sourced from PubChem (CID 123251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).