3-N-ethenyl-5-methylhex-1-ene-3,4-diimine

C9H14N2 — CID 169172946

IUPAC3-N-ethenyl-5-methylhex-1-ene-3,4-diimine
SMILES[H]/N=C(C(/C=C)=N/C=C)\C(C)C
InChIInChI=1S/C9H14N2/c1-5-8(11-6-2)9(10)7(3)4/h5-7,10H,1-2H2,3-4H3/b10-9+,11-8+
InChIKeyUIIDYCGHGVNCOQ-RUFFMTGISA-N
MW150.22 g/mol
LogP2.43
Rot. Bonds4

About 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine

3-N-ethenyl-5-methylhex-1-ene-3,4-diimine (PubChem CID 169172946) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine.

Molecular Properties

Compound Name3-N-ethenyl-5-methylhex-1-ene-3,4-diimine
PubChem CID169172946
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-N-ethenyl-5-methylhex-1-ene-3,4-diimine
SMILES[H]/N=C(C(/C=C)=N/C=C)\C(C)C
InChIInChI=1S/C9H14N2/c1-5-8(11-6-2)9(10)7(3)4/h5-7,10H,1-2H2,3-4H3/b10-9+,11-8+
InChIKeyUIIDYCGHGVNCOQ-RUFFMTGISA-N
XLogP2.43
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine?
The IUPAC name of 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine (CID 169172946) is 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine.
What is the SMILES notation for 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine?
The canonical SMILES for 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine is [H]/N=C(C(/C=C)=N/C=C)\C(C)C.
What is the InChIKey of 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine?
The InChIKey is UIIDYCGHGVNCOQ-RUFFMTGISA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(11-6-2)9(10)7(3)4/h5-7,10H,1-2H2,3-4H3/b10-9+,11-8+.
What are the key properties of 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine?
3-N-ethenyl-5-methylhex-1-ene-3,4-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethenyl-5-methylhex-1-ene-3,4-diimine is sourced from PubChem (CID 169172946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).