N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine

C11H16N2 — CID 166762860

IUPACN-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
SMILESC/N=C/c1cc(CC(C)C)ccn1
InChIInChI=1S/C11H16N2/c1-9(2)6-10-4-5-13-11(7-10)8-12-3/h4-5,7-9H,6H2,1-3H3/b12-8+
InChIKeyPHBCVYQJJIAWSF-XYOKQWHBSA-N
MW176.26 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine

N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine (PubChem CID 166762860) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
PubChem CID166762860
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
SMILESC/N=C/c1cc(CC(C)C)ccn1
InChIInChI=1S/C11H16N2/c1-9(2)6-10-4-5-13-11(7-10)8-12-3/h4-5,7-9H,6H2,1-3H3/b12-8+
InChIKeyPHBCVYQJJIAWSF-XYOKQWHBSA-N
XLogP2.33
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.33
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 N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine (CID 166762860) is N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine is C/N=C/c1cc(CC(C)C)ccn1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine?
The InChIKey is PHBCVYQJJIAWSF-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)6-10-4-5-13-11(7-10)8-12-3/h4-5,7-9H,6H2,1-3H3/b12-8+.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine?
N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 166762860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).