(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine

C6H10N2 — CID 134243293

IUPAC(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=C(\C)N=C
InChIInChI=1S/C6H10N2/c1-5(4-7)6(2)8-3/h4,7H,3H2,1-2H3/b6-5+,7-4+
InChIKeyMLUJZRHHOQOFKL-HVUXDCMCSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine

(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine (PubChem CID 134243293) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine
PubChem CID134243293
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=C(\C)N=C
InChIInChI=1S/C6H10N2/c1-5(4-7)6(2)8-3/h4,7H,3H2,1-2H3/b6-5+,7-4+
InChIKeyMLUJZRHHOQOFKL-HVUXDCMCSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
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 (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine?
The IUPAC name of (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine (CID 134243293) is (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine.
What is the SMILES notation for (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine?
The canonical SMILES for (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine is [H]/N=C/C(C)=C(\C)N=C.
What is the InChIKey of (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine?
The InChIKey is MLUJZRHHOQOFKL-HVUXDCMCSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(4-7)6(2)8-3/h4,7H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine?
(E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-N-methylidenebut-2-ene-1,3-diimine is sourced from PubChem (CID 134243293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).