3,4-dihydropyridin-6-ylmethanamine

C6H10N2 — CID 123494046

IUPAC3,4-dihydropyridin-6-ylmethanamine
SMILESNCC1=CCCC=N1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h3-4H,1-2,5,7H2
InChIKeyJDNMSDHQYBMYEF-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About 3,4-dihydropyridin-6-ylmethanamine

3,4-dihydropyridin-6-ylmethanamine (PubChem CID 123494046) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dihydropyridin-6-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydropyridin-6-ylmethanamine
PubChem CID123494046
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dihydropyridin-6-ylmethanamine
SMILESNCC1=CCCC=N1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h3-4H,1-2,5,7H2
InChIKeyJDNMSDHQYBMYEF-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
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-ylmethanamine?
The IUPAC name of 3,4-dihydropyridin-6-ylmethanamine (CID 123494046) is 3,4-dihydropyridin-6-ylmethanamine.
What is the SMILES notation for 3,4-dihydropyridin-6-ylmethanamine?
The canonical SMILES for 3,4-dihydropyridin-6-ylmethanamine is NCC1=CCCC=N1.
What is the InChIKey of 3,4-dihydropyridin-6-ylmethanamine?
The InChIKey is JDNMSDHQYBMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h3-4H,1-2,5,7H2.
What are the key properties of 3,4-dihydropyridin-6-ylmethanamine?
3,4-dihydropyridin-6-ylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-6-ylmethanamine is sourced from PubChem (CID 123494046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).