(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine

C9H16N2 — CID 155282314

IUPAC(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C(C)\C(C)=N\CC
InChIInChI=1S/C9H16N2/c1-6-11-9(4)7(2)8(3)10-5/h5-6H2,1-4H3/b8-7-,11-9+
InChIKeyIPHCFXBQDSZCEX-NSXXKTIASA-N
MW152.24 g/mol
LogP2.46
Rot. Bonds3

About (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine

(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine (PubChem CID 155282314) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine
PubChem CID155282314
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C(C)\C(C)=N\CC
InChIInChI=1S/C9H16N2/c1-6-11-9(4)7(2)8(3)10-5/h5-6H2,1-4H3/b8-7-,11-9+
InChIKeyIPHCFXBQDSZCEX-NSXXKTIASA-N
XLogP2.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.46
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 (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The IUPAC name of (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine (CID 155282314) is (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The canonical SMILES for (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine is C=N/C(C)=C(C)\C(C)=N\CC.
What is the InChIKey of (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The InChIKey is IPHCFXBQDSZCEX-NSXXKTIASA-N. The full InChI is InChI=1S/C9H16N2/c1-6-11-9(4)7(2)8(3)10-5/h5-6H2,1-4H3/b8-7-,11-9+.
What are the key properties of (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine is sourced from PubChem (CID 155282314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).