(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine

C9H14N2 — CID 167108316

IUPAC(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine
SMILES[H]/N=C/C(=C)CC/C=C\CN=C
InChIInChI=1S/C9H14N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10H,1-2,4,6-7H2/b5-3-,10-8+
InChIKeyVUHZAOYQAAVCFS-WEZLDLNLSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds6

About (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine

(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine (PubChem CID 167108316) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine.

Molecular Properties

Compound Name(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine
PubChem CID167108316
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine
SMILES[H]/N=C/C(=C)CC/C=C\CN=C
InChIInChI=1S/C9H14N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10H,1-2,4,6-7H2/b5-3-,10-8+
InChIKeyVUHZAOYQAAVCFS-WEZLDLNLSA-N
XLogP2.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine?
The IUPAC name of (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine (CID 167108316) is (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine.
What is the SMILES notation for (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine?
The canonical SMILES for (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine is [H]/N=C/C(=C)CC/C=C\CN=C.
What is the InChIKey of (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine?
The InChIKey is VUHZAOYQAAVCFS-WEZLDLNLSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10H,1-2,4,6-7H2/b5-3-,10-8+.
What are the key properties of (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine?
(Z)-N',2-dimethylidenehept-5-ene-1,7-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',2-dimethylidenehept-5-ene-1,7-diimine is sourced from PubChem (CID 167108316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).