3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine

C10H15N3 — CID 144670654

IUPAC3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine
SMILESC/N=C1/C(C)=C(C)N=C(C)/C1=N\C
InChIInChI=1S/C10H15N3/c1-6-7(2)13-8(3)10(12-5)9(6)11-4/h1-5H3/b11-9-,12-10+
InChIKeyWXSGXONSBNTCBT-DSOJMZEYSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds

About 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine

3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine (PubChem CID 144670654) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine.

Molecular Properties

Compound Name3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine
PubChem CID144670654
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine
SMILESC/N=C1/C(C)=C(C)N=C(C)/C1=N\C
InChIInChI=1S/C10H15N3/c1-6-7(2)13-8(3)10(12-5)9(6)11-4/h1-5H3/b11-9-,12-10+
InChIKeyWXSGXONSBNTCBT-DSOJMZEYSA-N
XLogP1.90
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
CID 18739815
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
CID 22979280
2,3,4-Triethylazete
CID 57185997
2,5,6-Trimethyl-3,4-dihydropyridine
CID 88990187
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809
(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
N-(1-cyclohexylideneethyl)pentan-2-imine
CID 123216517
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine?
The IUPAC name of 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine (CID 144670654) is 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine.
What is the SMILES notation for 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine?
The canonical SMILES for 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine is C/N=C1/C(C)=C(C)N=C(C)/C1=N\C.
What is the InChIKey of 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine?
The InChIKey is WXSGXONSBNTCBT-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H15N3/c1-6-7(2)13-8(3)10(12-5)9(6)11-4/h1-5H3/b11-9-,12-10+.
What are the key properties of 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine?
3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine has a molecular weight of 177.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine is sourced from PubChem (CID 144670654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).