1,2-dihydropyridin-3-amine

C5H8N2 — CID 5245632

IUPAC1,2-dihydropyridin-3-amine
SMILESNC1=CC=CNC1
InChIInChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-3,7H,4,6H2
InChIKeyCTXJXZAWPCDHOE-UHFFFAOYSA-N
MW96.13 g/mol
LogP-0.05
Rot. Bonds

About 1,2-dihydropyridin-3-amine

1,2-dihydropyridin-3-amine (PubChem CID 5245632) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name1,2-dihydropyridin-3-amine
PubChem CID5245632
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1,2-dihydropyridin-3-amine
SMILESNC1=CC=CNC1
InChIInChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-3,7H,4,6H2
InChIKeyCTXJXZAWPCDHOE-UHFFFAOYSA-N
XLogP-0.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dihydropyridin-1-ium
CID 21954005
1-Methyl-1,6-dihydropyridin-3-amine
CID 11840957
Dihydro 4-dimethylamino pyridine
CID 424917
AC1O0S2S
CID 6100695
Dihydropyridine amine
CID 17802280
3-Aminoazepine
CID 18755303
4-Amino-1-methylpyridine
CID 19022584
Hydrochloric acid dihydropyridine
CID 20068859
Metadiaminopyridine
CID 67060954
2,2-Diaminopyridine
CID 70517398
2,4-Diaminodihydropyridin
CID 129629608
1,5-Dihydro-1,5-diazanaphthalene
CID 129657449

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-3-amine?
The IUPAC name of 1,2-dihydropyridin-3-amine (CID 5245632) is 1,2-dihydropyridin-3-amine.
What is the SMILES notation for 1,2-dihydropyridin-3-amine?
The canonical SMILES for 1,2-dihydropyridin-3-amine is NC1=CC=CNC1.
What is the InChIKey of 1,2-dihydropyridin-3-amine?
The InChIKey is CTXJXZAWPCDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-3,7H,4,6H2.
What are the key properties of 1,2-dihydropyridin-3-amine?
1,2-dihydropyridin-3-amine has a molecular weight of 96.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-3-amine is sourced from PubChem (CID 5245632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).