2,3-dihydropyridin-4-ylmethanamine

C6H10N2 — CID 90137212

IUPAC2,3-dihydropyridin-4-ylmethanamine
SMILESNCC1=CC=NCC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4-5,7H2
InChIKeyBOFOMNOAYRKIHY-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.35
Rot. Bonds1

About 2,3-dihydropyridin-4-ylmethanamine

2,3-dihydropyridin-4-ylmethanamine (PubChem CID 90137212) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3-dihydropyridin-4-ylmethanamine.

Molecular Properties

Compound Name2,3-dihydropyridin-4-ylmethanamine
PubChem CID90137212
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2,3-dihydropyridin-4-ylmethanamine
SMILESNCC1=CC=NCC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4-5,7H2
InChIKeyBOFOMNOAYRKIHY-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridin-4-ylmethanamine?
The IUPAC name of 2,3-dihydropyridin-4-ylmethanamine (CID 90137212) is 2,3-dihydropyridin-4-ylmethanamine.
What is the SMILES notation for 2,3-dihydropyridin-4-ylmethanamine?
The canonical SMILES for 2,3-dihydropyridin-4-ylmethanamine is NCC1=CC=NCC1.
What is the InChIKey of 2,3-dihydropyridin-4-ylmethanamine?
The InChIKey is BOFOMNOAYRKIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4-5,7H2.
What are the key properties of 2,3-dihydropyridin-4-ylmethanamine?
2,3-dihydropyridin-4-ylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridin-4-ylmethanamine is sourced from PubChem (CID 90137212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).