N-butyl-1-(2H-pyridin-1-yl)methanimine

C10H16N2 — CID 67807854

IUPACN-butyl-1-(2H-pyridin-1-yl)methanimine
SMILESCCCC/N=C/N1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-2-3-7-11-10-12-8-5-4-6-9-12/h4-6,8,10H,2-3,7,9H2,1H3/b11-10+
InChIKeyFTZZCYJKAUSAFY-ZHACJKMWSA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds4

About N-butyl-1-(2H-pyridin-1-yl)methanimine

N-butyl-1-(2H-pyridin-1-yl)methanimine (PubChem CID 67807854) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-butyl-1-(2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(2H-pyridin-1-yl)methanimine
PubChem CID67807854
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-butyl-1-(2H-pyridin-1-yl)methanimine
SMILESCCCC/N=C/N1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-2-3-7-11-10-12-8-5-4-6-9-12/h4-6,8,10H,2-3,7,9H2,1H3/b11-10+
InChIKeyFTZZCYJKAUSAFY-ZHACJKMWSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-butyl-1-(2H-pyridin-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2H-pyridin-1-yl)methanimine?
The IUPAC name of N-butyl-1-(2H-pyridin-1-yl)methanimine (CID 67807854) is N-butyl-1-(2H-pyridin-1-yl)methanimine.
What is the SMILES notation for N-butyl-1-(2H-pyridin-1-yl)methanimine?
The canonical SMILES for N-butyl-1-(2H-pyridin-1-yl)methanimine is CCCC/N=C/N1C=CC=CC1.
What is the InChIKey of N-butyl-1-(2H-pyridin-1-yl)methanimine?
The InChIKey is FTZZCYJKAUSAFY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-7-11-10-12-8-5-4-6-9-12/h4-6,8,10H,2-3,7,9H2,1H3/b11-10+.
What are the key properties of N-butyl-1-(2H-pyridin-1-yl)methanimine?
N-butyl-1-(2H-pyridin-1-yl)methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 67807854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).