3,4-dihydropyridin-5-ylmethanamine

C6H10N2 — CID 70317526

IUPAC3,4-dihydropyridin-5-ylmethanamine
SMILESNCC1=CN=CCC1
InChIInChI=1S/C6H10N2/c7-4-6-2-1-3-8-5-6/h3,5H,1-2,4,7H2
InChIKeyCCYRLBIRKXIQML-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About 3,4-dihydropyridin-5-ylmethanamine

3,4-dihydropyridin-5-ylmethanamine (PubChem CID 70317526) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dihydropyridin-5-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydropyridin-5-ylmethanamine
PubChem CID70317526
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dihydropyridin-5-ylmethanamine
SMILESNCC1=CN=CCC1
InChIInChI=1S/C6H10N2/c7-4-6-2-1-3-8-5-6/h3,5H,1-2,4,7H2
InChIKeyCCYRLBIRKXIQML-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-5-ylmethanamine?
The IUPAC name of 3,4-dihydropyridin-5-ylmethanamine (CID 70317526) is 3,4-dihydropyridin-5-ylmethanamine.
What is the SMILES notation for 3,4-dihydropyridin-5-ylmethanamine?
The canonical SMILES for 3,4-dihydropyridin-5-ylmethanamine is NCC1=CN=CCC1.
What is the InChIKey of 3,4-dihydropyridin-5-ylmethanamine?
The InChIKey is CCYRLBIRKXIQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-4-6-2-1-3-8-5-6/h3,5H,1-2,4,7H2.
What are the key properties of 3,4-dihydropyridin-5-ylmethanamine?
3,4-dihydropyridin-5-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-5-ylmethanamine is sourced from PubChem (CID 70317526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).