N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine

C13H12N2 — CID 145162195

IUPACN-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine
SMILESCN(Cc1cc#ccc1)c1ccccn1
InChIInChI=1S/C13H12N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h3,5-10H,11H2,1H3
InChIKeyMALZDBUGVYUZKU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.32
Rot. Bonds3

About N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine

N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 145162195) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine
PubChem CID145162195
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC NameN-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine
SMILESCN(Cc1cc#ccc1)c1ccccn1
InChIInChI=1S/C13H12N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h3,5-10H,11H2,1H3
InChIKeyMALZDBUGVYUZKU-UHFFFAOYSA-N
XLogP2.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

Tripelennamine
CID 5587
Mirtazapine
CID 4205
Tripelennamine Hydrochloride
CID 9066
2-Amino-4-methylpyridine
CID 1533
Chloropyramine
CID 25295
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
Chloropyramine Hydrochloride
CID 80311
2-(Benzylamino)pyridine
CID 23362
4-Phenylpyrimidine
CID 18923
N-2-Pyridylaniline
CID 81130
2-Dimethylaminopyridine
CID 21885

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine (CID 145162195) is N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine is CN(Cc1cc#ccc1)c1ccccn1.
What is the InChIKey of N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is MALZDBUGVYUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h3,5-10H,11H2,1H3.
What are the key properties of N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine?
N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-3-yn-1-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 145162195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).