2,2,5,5-tetramethylhexane-3,4-diimine

C10H20N2 — CID 21281613

IUPAC2,2,5,5-tetramethylhexane-3,4-diimine
SMILES[H]/N=C(C(=N/[H])/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(2,3)7(11)8(12)10(4,5)6/h11-12H,1-6H3/b11-7-,12-8-
InChIKeyVASVCHNTASGSMF-OXAWKVHCSA-N
MW168.28 g/mol
LogP3.12
Rot. Bonds1

About 2,2,5,5-tetramethylhexane-3,4-diimine

2,2,5,5-tetramethylhexane-3,4-diimine (PubChem CID 21281613) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,5,5-tetramethylhexane-3,4-diimine.

Molecular Properties

Compound Name2,2,5,5-tetramethylhexane-3,4-diimine
PubChem CID21281613
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,2,5,5-tetramethylhexane-3,4-diimine
SMILES[H]/N=C(C(=N/[H])/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(2,3)7(11)8(12)10(4,5)6/h11-12H,1-6H3/b11-7-,12-8-
InChIKeyVASVCHNTASGSMF-OXAWKVHCSA-N
XLogP3.12
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
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 2,2,5,5-tetramethylhexane-3,4-diimine?
The IUPAC name of 2,2,5,5-tetramethylhexane-3,4-diimine (CID 21281613) is 2,2,5,5-tetramethylhexane-3,4-diimine.
What is the SMILES notation for 2,2,5,5-tetramethylhexane-3,4-diimine?
The canonical SMILES for 2,2,5,5-tetramethylhexane-3,4-diimine is [H]/N=C(C(=N/[H])/C(C)(C)C)\C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethylhexane-3,4-diimine?
The InChIKey is VASVCHNTASGSMF-OXAWKVHCSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)7(11)8(12)10(4,5)6/h11-12H,1-6H3/b11-7-,12-8-.
What are the key properties of 2,2,5,5-tetramethylhexane-3,4-diimine?
2,2,5,5-tetramethylhexane-3,4-diimine has a molecular weight of 168.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylhexane-3,4-diimine is sourced from PubChem (CID 21281613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).