2-methyl-2,3-dihydropyridine-3,4-diamine

C6H11N3 — CID 139470231

IUPAC2-methyl-2,3-dihydropyridine-3,4-diamine
SMILESCC1N=CC=C(N)C1N
InChIInChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,6H,7-8H2,1H3
InChIKeyQIELPFVUNJDALJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.37
Rot. Bonds

About 2-methyl-2,3-dihydropyridine-3,4-diamine

2-methyl-2,3-dihydropyridine-3,4-diamine (PubChem CID 139470231) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyridine-3,4-diamine.

Molecular Properties

Compound Name2-methyl-2,3-dihydropyridine-3,4-diamine
PubChem CID139470231
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-methyl-2,3-dihydropyridine-3,4-diamine
SMILESCC1N=CC=C(N)C1N
InChIInChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,6H,7-8H2,1H3
InChIKeyQIELPFVUNJDALJ-UHFFFAOYSA-N
XLogP-0.37
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydropyridine-3,4-diamine?
The IUPAC name of 2-methyl-2,3-dihydropyridine-3,4-diamine (CID 139470231) is 2-methyl-2,3-dihydropyridine-3,4-diamine.
What is the SMILES notation for 2-methyl-2,3-dihydropyridine-3,4-diamine?
The canonical SMILES for 2-methyl-2,3-dihydropyridine-3,4-diamine is CC1N=CC=C(N)C1N.
What is the InChIKey of 2-methyl-2,3-dihydropyridine-3,4-diamine?
The InChIKey is QIELPFVUNJDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,6H,7-8H2,1H3.
What are the key properties of 2-methyl-2,3-dihydropyridine-3,4-diamine?
2-methyl-2,3-dihydropyridine-3,4-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydropyridine-3,4-diamine is sourced from PubChem (CID 139470231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).