5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine

C10H18N2 — CID 56616930

IUPAC5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(C)=CN(CC(C)C)C1
InChIInChI=1S/C10H18N2/c1-8(2)5-12-6-9(3)4-10(11)7-12/h6,8,11H,4-5,7H2,1-3H3/b11-10+
InChIKeyWIPZTAOXRFYNMG-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.27
Rot. Bonds2

About 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine

5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine (PubChem CID 56616930) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
PubChem CID56616930
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(C)=CN(CC(C)C)C1
InChIInChI=1S/C10H18N2/c1-8(2)5-12-6-9(3)4-10(11)7-12/h6,8,11H,4-5,7H2,1-3H3/b11-10+
InChIKeyWIPZTAOXRFYNMG-ZHACJKMWSA-N
XLogP2.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.27
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 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine (CID 56616930) is 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine is [H]/N=C1\CC(C)=CN(CC(C)C)C1.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine?
The InChIKey is WIPZTAOXRFYNMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)5-12-6-9(3)4-10(11)7-12/h6,8,11H,4-5,7H2,1-3H3/b11-10+.
What are the key properties of 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine?
5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine has a molecular weight of 166.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56616930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).