(4-ethynyl-6-methyl-3-pyridinyl)methanamine

C9H10N2 — CID 74888678

IUPAC(4-ethynyl-6-methyl-3-pyridinyl)methanamine
SMILESC#Cc1cc(C)ncc1CN
InChIInChI=1S/C9H10N2/c1-3-8-4-7(2)11-6-9(8)5-10/h1,4,6H,5,10H2,2H3
InChIKeyKLZVSQDBDLZJGI-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.83
Rot. Bonds1

About (4-ethynyl-6-methyl-3-pyridinyl)methanamine

(4-ethynyl-6-methyl-3-pyridinyl)methanamine (PubChem CID 74888678) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4-ethynyl-6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-ethynyl-6-methyl-3-pyridinyl)methanamine
PubChem CID74888678
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(4-ethynyl-6-methyl-3-pyridinyl)methanamine
SMILESC#Cc1cc(C)ncc1CN
InChIInChI=1S/C9H10N2/c1-3-8-4-7(2)11-6-9(8)5-10/h1,4,6H,5,10H2,2H3
InChIKeyKLZVSQDBDLZJGI-UHFFFAOYSA-N
XLogP0.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-ethynyl-6-methyl-3-pyridinyl)methanamine 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

5-ethynyl-2,4-dimethylpyridine
CID 58117489
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
4-ethynyl-6-methylpyridine-3-carboxylic acid
CID 74888677
(6-methyl-4-propan-2-ylsulfanyl-3-pyridinyl)methanamine
CID 130826140
4-tert-butyl-5-ethynyl-2-methylpyridine
CID 177108892
(6-methyl-4-phenyl-3-pyridinyl)methanamine
CID 90247119
[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81248079
[4-[(2-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 81253013
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 130870041
5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine
CID 107871241
acetic acid;1-[5-(aminomethyl)-2-methyl-4-pyridinyl]-N-methylmethanesulfonamide
CID 175779220
5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
CID 81248348

Frequently Asked Questions

What is the IUPAC name of (4-ethynyl-6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-ethynyl-6-methyl-3-pyridinyl)methanamine (CID 74888678) is (4-ethynyl-6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-ethynyl-6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-ethynyl-6-methyl-3-pyridinyl)methanamine is C#Cc1cc(C)ncc1CN.
What is the InChIKey of (4-ethynyl-6-methyl-3-pyridinyl)methanamine?
The InChIKey is KLZVSQDBDLZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-8-4-7(2)11-6-9(8)5-10/h1,4,6H,5,10H2,2H3.
What are the key properties of (4-ethynyl-6-methyl-3-pyridinyl)methanamine?
(4-ethynyl-6-methyl-3-pyridinyl)methanamine has a molecular weight of 146.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 74888678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).