N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

C9H18N2 — CID 90396342

IUPACN-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCNCCN1CC=C(C)CC1
InChIInChI=1S/C9H18N2/c1-9-3-6-11(7-4-9)8-5-10-2/h3,10H,4-8H2,1-2H3
InChIKeyAKFNDRPHBHFZFE-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

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

N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (PubChem CID 90396342) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
PubChem CID90396342
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCNCCN1CC=C(C)CC1
InChIInChI=1S/C9H18N2/c1-9-3-6-11(7-4-9)8-5-10-2/h3,10H,4-8H2,1-2H3
InChIKeyAKFNDRPHBHFZFE-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine 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-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (CID 90396342) is N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is CNCCN1CC=C(C)CC1.
What is the InChIKey of N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The InChIKey is AKFNDRPHBHFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-3-6-11(7-4-9)8-5-10-2/h3,10H,4-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 90396342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).