5-methylhexane-1,4-diimine

C7H14N2 — CID 156550679

IUPAC5-methylhexane-1,4-diimine
SMILES[H]/N=C/CC/C(=N\[H])C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(9)4-3-5-8/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+
InChIKeyUOMLFIKVWUBOIG-OCIXRKKMSA-N
MW126.20 g/mol
LogP2.09
Rot. Bonds4

About 5-methylhexane-1,4-diimine

5-methylhexane-1,4-diimine (PubChem CID 156550679) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methylhexane-1,4-diimine.

Molecular Properties

Compound Name5-methylhexane-1,4-diimine
PubChem CID156550679
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-methylhexane-1,4-diimine
SMILES[H]/N=C/CC/C(=N\[H])C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(9)4-3-5-8/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+
InChIKeyUOMLFIKVWUBOIG-OCIXRKKMSA-N
XLogP2.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.09
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 5-methylhexane-1,4-diimine?
The IUPAC name of 5-methylhexane-1,4-diimine (CID 156550679) is 5-methylhexane-1,4-diimine.
What is the SMILES notation for 5-methylhexane-1,4-diimine?
The canonical SMILES for 5-methylhexane-1,4-diimine is [H]/N=C/CC/C(=N\[H])C(C)C.
What is the InChIKey of 5-methylhexane-1,4-diimine?
The InChIKey is UOMLFIKVWUBOIG-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(9)4-3-5-8/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+.
What are the key properties of 5-methylhexane-1,4-diimine?
5-methylhexane-1,4-diimine has a molecular weight of 126.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexane-1,4-diimine is sourced from PubChem (CID 156550679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).