N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine

C10H14N2 — CID 123251728

IUPACN-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine
SMILESC=NC1=C(C=CC)N(C)CC=C1
InChIInChI=1S/C10H14N2/c1-4-6-10-9(11-2)7-5-8-12(10)3/h4-7H,2,8H2,1,3H3
InChIKeyNDKWCECTARKYQG-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.98
Rot. Bonds2

About N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine

N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine (PubChem CID 123251728) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine
PubChem CID123251728
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine
SMILESC=NC1=C(C=CC)N(C)CC=C1
InChIInChI=1S/C10H14N2/c1-4-6-10-9(11-2)7-5-8-12(10)3/h4-7H,2,8H2,1,3H3
InChIKeyNDKWCECTARKYQG-UHFFFAOYSA-N
XLogP1.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-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-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine?
The IUPAC name of N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine (CID 123251728) is N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine?
The canonical SMILES for N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine is C=NC1=C(C=CC)N(C)CC=C1.
What is the InChIKey of N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine?
The InChIKey is NDKWCECTARKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-10-9(11-2)7-5-8-12(10)3/h4-7H,2,8H2,1,3H3.
What are the key properties of N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine?
N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine has a molecular weight of 162.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-prop-1-enyl-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 123251728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).