6-methylhept-5-ene-1,4-diimine

C8H14N2 — CID 174406199

IUPAC6-methylhept-5-ene-1,4-diimine
SMILES[H]/N=C/CC/C(C=C(C)C)=N\[H]
InChIInChI=1S/C8H14N2/c1-7(2)6-8(10)4-3-5-9/h5-6,9-10H,3-4H2,1-2H3/b9-5+,10-8+
InChIKeyQRRMBDWEIIDYKM-MUDDOMJDSA-N
MW138.21 g/mol
LogP2.40
Rot. Bonds4

About 6-methylhept-5-ene-1,4-diimine

6-methylhept-5-ene-1,4-diimine (PubChem CID 174406199) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-methylhept-5-ene-1,4-diimine.

Molecular Properties

Compound Name6-methylhept-5-ene-1,4-diimine
PubChem CID174406199
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name6-methylhept-5-ene-1,4-diimine
SMILES[H]/N=C/CC/C(C=C(C)C)=N\[H]
InChIInChI=1S/C8H14N2/c1-7(2)6-8(10)4-3-5-9/h5-6,9-10H,3-4H2,1-2H3/b9-5+,10-8+
InChIKeyQRRMBDWEIIDYKM-MUDDOMJDSA-N
XLogP2.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
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 6-methylhept-5-ene-1,4-diimine?
The IUPAC name of 6-methylhept-5-ene-1,4-diimine (CID 174406199) is 6-methylhept-5-ene-1,4-diimine.
What is the SMILES notation for 6-methylhept-5-ene-1,4-diimine?
The canonical SMILES for 6-methylhept-5-ene-1,4-diimine is [H]/N=C/CC/C(C=C(C)C)=N\[H].
What is the InChIKey of 6-methylhept-5-ene-1,4-diimine?
The InChIKey is QRRMBDWEIIDYKM-MUDDOMJDSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)6-8(10)4-3-5-9/h5-6,9-10H,3-4H2,1-2H3/b9-5+,10-8+.
What are the key properties of 6-methylhept-5-ene-1,4-diimine?
6-methylhept-5-ene-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-ene-1,4-diimine is sourced from PubChem (CID 174406199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).