(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine

C8H14N2 — CID 139455838

IUPAC(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine
SMILESC/C=N/C(=C\C=N\C)CC
InChIInChI=1S/C8H14N2/c1-4-8(10-5-2)6-7-9-3/h5-7H,4H2,1-3H3/b8-6-,9-7+,10-5+
InChIKeyTZNKXVHWZBFTGK-VDKFDHQRSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine

(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine (PubChem CID 139455838) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine
PubChem CID139455838
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine
SMILESC/C=N/C(=C\C=N\C)CC
InChIInChI=1S/C8H14N2/c1-4-8(10-5-2)6-7-9-3/h5-7H,4H2,1-3H3/b8-6-,9-7+,10-5+
InChIKeyTZNKXVHWZBFTGK-VDKFDHQRSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine (CID 139455838) is (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine is C/C=N/C(=C\C=N\C)CC.
What is the InChIKey of (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine?
The InChIKey is TZNKXVHWZBFTGK-VDKFDHQRSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(10-5-2)6-7-9-3/h5-7H,4H2,1-3H3/b8-6-,9-7+,10-5+.
What are the key properties of (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine?
(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine is sourced from PubChem (CID 139455838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).