5,6-dimethyl-1,2-dihydropyridin-3-amine

C7H12N2 — CID 166161363

IUPAC5,6-dimethyl-1,2-dihydropyridin-3-amine
SMILESCC1=C(C)NCC(N)=C1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)4-9-6(5)2/h3,9H,4,8H2,1-2H3
InChIKeyNTXYUOAJIHLWBQ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.73
Rot. Bonds

About 5,6-dimethyl-1,2-dihydropyridin-3-amine

5,6-dimethyl-1,2-dihydropyridin-3-amine (PubChem CID 166161363) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5,6-dimethyl-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-1,2-dihydropyridin-3-amine
PubChem CID166161363
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5,6-dimethyl-1,2-dihydropyridin-3-amine
SMILESCC1=C(C)NCC(N)=C1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)4-9-6(5)2/h3,9H,4,8H2,1-2H3
InChIKeyNTXYUOAJIHLWBQ-UHFFFAOYSA-N
XLogP0.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2-dihydropyridin-3-amine?
The IUPAC name of 5,6-dimethyl-1,2-dihydropyridin-3-amine (CID 166161363) is 5,6-dimethyl-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 5,6-dimethyl-1,2-dihydropyridin-3-amine?
The canonical SMILES for 5,6-dimethyl-1,2-dihydropyridin-3-amine is CC1=C(C)NCC(N)=C1.
What is the InChIKey of 5,6-dimethyl-1,2-dihydropyridin-3-amine?
The InChIKey is NTXYUOAJIHLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-7(8)4-9-6(5)2/h3,9H,4,8H2,1-2H3.
What are the key properties of 5,6-dimethyl-1,2-dihydropyridin-3-amine?
5,6-dimethyl-1,2-dihydropyridin-3-amine has a molecular weight of 124.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 166161363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).