1,4-dihydropyridin-4-amine

C5H8N2 — CID 70444435

IUPAC1,4-dihydropyridin-4-amine
SMILESNC1C=CNC=C1
InChIInChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1-5,7H,6H2
InChIKeyULRHCPQLBSKKSD-UHFFFAOYSA-N
MW96.13 g/mol
LogP-0.06
Rot. Bonds

About 1,4-dihydropyridin-4-amine

1,4-dihydropyridin-4-amine (PubChem CID 70444435) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name1,4-dihydropyridin-4-amine
PubChem CID70444435
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1,4-dihydropyridin-4-amine
SMILESNC1C=CNC=C1
InChIInChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1-5,7H,6H2
InChIKeyULRHCPQLBSKKSD-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridin-4-amine?
The IUPAC name of 1,4-dihydropyridin-4-amine (CID 70444435) is 1,4-dihydropyridin-4-amine.
What is the SMILES notation for 1,4-dihydropyridin-4-amine?
The canonical SMILES for 1,4-dihydropyridin-4-amine is NC1C=CNC=C1.
What is the InChIKey of 1,4-dihydropyridin-4-amine?
The InChIKey is ULRHCPQLBSKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1-5,7H,6H2.
What are the key properties of 1,4-dihydropyridin-4-amine?
1,4-dihydropyridin-4-amine has a molecular weight of 96.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridin-4-amine is sourced from PubChem (CID 70444435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).