2-N,5,5-trimethylhexane-2,4-diimine

C9H18N2 — CID 123289543

IUPAC2-N,5,5-trimethylhexane-2,4-diimine
SMILES[H]/N=C(\C/C(C)=N/C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(11-5)6-8(10)9(2,3)4/h10H,6H2,1-5H3/b10-8+,11-7+
InChIKeyGLOWOTODDDLBSE-VTTRTIMMSA-N
MW154.26 g/mol
LogP2.53
Rot. Bonds2

About 2-N,5,5-trimethylhexane-2,4-diimine

2-N,5,5-trimethylhexane-2,4-diimine (PubChem CID 123289543) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-N,5,5-trimethylhexane-2,4-diimine.

Molecular Properties

Compound Name2-N,5,5-trimethylhexane-2,4-diimine
PubChem CID123289543
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-N,5,5-trimethylhexane-2,4-diimine
SMILES[H]/N=C(\C/C(C)=N/C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(11-5)6-8(10)9(2,3)4/h10H,6H2,1-5H3/b10-8+,11-7+
InChIKeyGLOWOTODDDLBSE-VTTRTIMMSA-N
XLogP2.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 2-N,5,5-trimethylhexane-2,4-diimine?
The IUPAC name of 2-N,5,5-trimethylhexane-2,4-diimine (CID 123289543) is 2-N,5,5-trimethylhexane-2,4-diimine.
What is the SMILES notation for 2-N,5,5-trimethylhexane-2,4-diimine?
The canonical SMILES for 2-N,5,5-trimethylhexane-2,4-diimine is [H]/N=C(\C/C(C)=N/C)C(C)(C)C.
What is the InChIKey of 2-N,5,5-trimethylhexane-2,4-diimine?
The InChIKey is GLOWOTODDDLBSE-VTTRTIMMSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(11-5)6-8(10)9(2,3)4/h10H,6H2,1-5H3/b10-8+,11-7+.
What are the key properties of 2-N,5,5-trimethylhexane-2,4-diimine?
2-N,5,5-trimethylhexane-2,4-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5,5-trimethylhexane-2,4-diimine is sourced from PubChem (CID 123289543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).