2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine

C8H14N2 — CID 91445899

IUPAC2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C1\CC(C)C(C)N=C1C
InChIInChI=1S/C8H14N2/c1-5-4-8(9)7(3)10-6(5)2/h5-6,9H,4H2,1-3H3/b9-8+
InChIKeyBXUKNHKABRKSKH-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.90
Rot. Bonds

About 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine

2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine (PubChem CID 91445899) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine.

Molecular Properties

Compound Name2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine
PubChem CID91445899
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C1\CC(C)C(C)N=C1C
InChIInChI=1S/C8H14N2/c1-5-4-8(9)7(3)10-6(5)2/h5-6,9H,4H2,1-3H3/b9-8+
InChIKeyBXUKNHKABRKSKH-CMDGGOBGSA-N
XLogP1.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 21721025
2-ethyl-4,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 23569855
2,3,4,5,6-Pentamethyl-2,3,4,5-tetrahydropyridine
CID 54067194
2,4,6-Trimethyl-2,3,4,5-tetrahydropyridine
CID 54351617
N-(2-ethylhexyl)cyclohexanimine
CID 56631454
4-Ethyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 57001540
4-Ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine
CID 57154804
(4-Methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine
CID 57304929
2-Ethyl-3-methyl-2,3,4,5-tetrahydropyridine
CID 58247555
N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine
CID 58249109
5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole
CID 58975962
3,5,6-Trimethyl-2,3,4,5-tetrahydropyridine
CID 70233541

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine?
The IUPAC name of 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine (CID 91445899) is 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine.
What is the SMILES notation for 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine?
The canonical SMILES for 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine is [H]/N=C1\CC(C)C(C)N=C1C.
What is the InChIKey of 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine?
The InChIKey is BXUKNHKABRKSKH-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-4-8(9)7(3)10-6(5)2/h5-6,9H,4H2,1-3H3/b9-8+.
What are the key properties of 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine?
2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine has a molecular weight of 138.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine is sourced from PubChem (CID 91445899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).