1-N,2-N-bis(ethenyl)butane-1,2-diimine

C8H12N2 — CID 130434064

IUPAC1-N,2-N-bis(ethenyl)butane-1,2-diimine
SMILESC=C/N=C/C(CC)=N/C=C
InChIInChI=1S/C8H12N2/c1-4-8(10-6-3)7-9-5-2/h5-7H,2-4H2,1H3/b9-7+,10-8+
InChIKeyOFUILCUJMPCCTO-FIFLTTCUSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds4

About 1-N,2-N-bis(ethenyl)butane-1,2-diimine

1-N,2-N-bis(ethenyl)butane-1,2-diimine (PubChem CID 130434064) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-N,2-N-bis(ethenyl)butane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(ethenyl)butane-1,2-diimine
PubChem CID130434064
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-N,2-N-bis(ethenyl)butane-1,2-diimine
SMILESC=C/N=C/C(CC)=N/C=C
InChIInChI=1S/C8H12N2/c1-4-8(10-6-3)7-9-5-2/h5-7H,2-4H2,1H3/b9-7+,10-8+
InChIKeyOFUILCUJMPCCTO-FIFLTTCUSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 1-N,2-N-bis(ethenyl)butane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(ethenyl)butane-1,2-diimine (CID 130434064) is 1-N,2-N-bis(ethenyl)butane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(ethenyl)butane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(ethenyl)butane-1,2-diimine is C=C/N=C/C(CC)=N/C=C.
What is the InChIKey of 1-N,2-N-bis(ethenyl)butane-1,2-diimine?
The InChIKey is OFUILCUJMPCCTO-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8(10-6-3)7-9-5-2/h5-7H,2-4H2,1H3/b9-7+,10-8+.
What are the key properties of 1-N,2-N-bis(ethenyl)butane-1,2-diimine?
1-N,2-N-bis(ethenyl)butane-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(ethenyl)butane-1,2-diimine is sourced from PubChem (CID 130434064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).