N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

C10H18N2 — CID 170635802

IUPACN-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CC)C1
InChIInChI=1S/C10H18N2/c1-4-11-10-8-12(5-2)7-6-9(10)3/h4H,5-8H2,1-3H3/b11-4+
InChIKeyMZEFCVSWZFHDOI-NYYWCZLTSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds2

About N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (PubChem CID 170635802) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.

Molecular Properties

Compound NameN-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
PubChem CID170635802
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CC)C1
InChIInChI=1S/C10H18N2/c1-4-11-10-8-12(5-2)7-6-9(10)3/h4H,5-8H2,1-3H3/b11-4+
InChIKeyMZEFCVSWZFHDOI-NYYWCZLTSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine 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-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The IUPAC name of N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (CID 170635802) is N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.
What is the SMILES notation for N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The canonical SMILES for N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is C/C=N/C1=C(C)CCN(CC)C1.
What is the InChIKey of N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The InChIKey is MZEFCVSWZFHDOI-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-11-10-8-12(5-2)7-6-9(10)3/h4H,5-8H2,1-3H3/b11-4+.
What are the key properties of N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is sourced from PubChem (CID 170635802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).