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

C8H14N2 — CID 123821950

IUPAC2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILESC=C(N=C(C)C)/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)10-8(4)7(3)9-5/h4H2,1-3,5H3/b9-7+
InChIKeyFWZLADZZROGBMB-VQHVLOKHSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds2

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

2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine (PubChem CID 123821950) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine.

Molecular Properties

Compound Name2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine
PubChem CID123821950
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILESC=C(N=C(C)C)/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)10-8(4)7(3)9-5/h4H2,1-3,5H3/b9-7+
InChIKeyFWZLADZZROGBMB-VQHVLOKHSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The IUPAC name of 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine (CID 123821950) is 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine.
What is the SMILES notation for 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The canonical SMILES for 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine is C=C(N=C(C)C)/C(C)=N/C.
What is the InChIKey of 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The InChIKey is FWZLADZZROGBMB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-8(4)7(3)9-5/h4H2,1-3,5H3/b9-7+.
What are the key properties of 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-N-propan-2-ylidenebut-3-ene-2,3-diimine is sourced from PubChem (CID 123821950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).