2-N,4-N,3-trimethylpentane-2,4-diimine

C8H16N2 — CID 59932853

IUPAC2-N,4-N,3-trimethylpentane-2,4-diimine
SMILESC/N=C(\C)C(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h6H,1-5H3/b9-7+,10-8+
InChIKeyAFYIJNPRLFUBCD-FIFLTTCUSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds2

About 2-N,4-N,3-trimethylpentane-2,4-diimine

2-N,4-N,3-trimethylpentane-2,4-diimine (PubChem CID 59932853) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-N,4-N,3-trimethylpentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N,3-trimethylpentane-2,4-diimine
PubChem CID59932853
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-N,4-N,3-trimethylpentane-2,4-diimine
SMILESC/N=C(\C)C(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h6H,1-5H3/b9-7+,10-8+
InChIKeyAFYIJNPRLFUBCD-FIFLTTCUSA-N
XLogP1.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
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,4-N,3-trimethylpentane-2,4-diimine?
The IUPAC name of 2-N,4-N,3-trimethylpentane-2,4-diimine (CID 59932853) is 2-N,4-N,3-trimethylpentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N,3-trimethylpentane-2,4-diimine?
The canonical SMILES for 2-N,4-N,3-trimethylpentane-2,4-diimine is C/N=C(\C)C(C)/C(C)=N/C.
What is the InChIKey of 2-N,4-N,3-trimethylpentane-2,4-diimine?
The InChIKey is AFYIJNPRLFUBCD-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h6H,1-5H3/b9-7+,10-8+.
What are the key properties of 2-N,4-N,3-trimethylpentane-2,4-diimine?
2-N,4-N,3-trimethylpentane-2,4-diimine has a molecular weight of 140.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,3-trimethylpentane-2,4-diimine is sourced from PubChem (CID 59932853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).