3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine

C8H14N2 — CID 90796579

IUPAC3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(\C)C(C)=CN=C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-7(3)8(4)9/h5,9H,1-4H3/b7-5?,9-8+
InChIKeyJHMWQDHRFNWDTC-KQEMPYGNSA-N
MW138.21 g/mol
LogP2.41
Rot. Bonds2

About 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine

3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine (PubChem CID 90796579) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
PubChem CID90796579
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(\C)C(C)=CN=C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-7(3)8(4)9/h5,9H,1-4H3/b7-5?,9-8+
InChIKeyJHMWQDHRFNWDTC-KQEMPYGNSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.41
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 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The IUPAC name of 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine (CID 90796579) is 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The canonical SMILES for 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine is [H]/N=C(\C)C(C)=CN=C(C)C.
What is the InChIKey of 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The InChIKey is JHMWQDHRFNWDTC-KQEMPYGNSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-5-7(3)8(4)9/h5,9H,1-4H3/b7-5?,9-8+.
What are the key properties of 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 90796579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).