3,4-dihydropyridin-6-amine

C5H8N2 — CID 22751226

IUPAC3,4-dihydropyridin-6-amine
SMILESNC1=CCCC=N1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2
InChIKeySWBVHDUHZQMKEK-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.65
Rot. Bonds

About 3,4-dihydropyridin-6-amine

3,4-dihydropyridin-6-amine (PubChem CID 22751226) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name3,4-dihydropyridin-6-amine
PubChem CID22751226
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3,4-dihydropyridin-6-amine
SMILESNC1=CCCC=N1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2
InChIKeySWBVHDUHZQMKEK-UHFFFAOYSA-N
XLogP0.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-6-amine?
The IUPAC name of 3,4-dihydropyridin-6-amine (CID 22751226) is 3,4-dihydropyridin-6-amine.
What is the SMILES notation for 3,4-dihydropyridin-6-amine?
The canonical SMILES for 3,4-dihydropyridin-6-amine is NC1=CCCC=N1.
What is the InChIKey of 3,4-dihydropyridin-6-amine?
The InChIKey is SWBVHDUHZQMKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2.
What are the key properties of 3,4-dihydropyridin-6-amine?
3,4-dihydropyridin-6-amine has a molecular weight of 96.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-6-amine is sourced from PubChem (CID 22751226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).