3,4-dihydropyridin-4-ylmethanamine

C6H10N2 — CID 89076202

IUPAC3,4-dihydropyridin-4-ylmethanamine
SMILESNCC1C=CN=CC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3-4,6H,2,5,7H2
InChIKeyOUKATFLTSDSRRG-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.55
Rot. Bonds1

About 3,4-dihydropyridin-4-ylmethanamine

3,4-dihydropyridin-4-ylmethanamine (PubChem CID 89076202) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dihydropyridin-4-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydropyridin-4-ylmethanamine
PubChem CID89076202
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dihydropyridin-4-ylmethanamine
SMILESNCC1C=CN=CC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3-4,6H,2,5,7H2
InChIKeyOUKATFLTSDSRRG-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-4-ylmethanamine?
The IUPAC name of 3,4-dihydropyridin-4-ylmethanamine (CID 89076202) is 3,4-dihydropyridin-4-ylmethanamine.
What is the SMILES notation for 3,4-dihydropyridin-4-ylmethanamine?
The canonical SMILES for 3,4-dihydropyridin-4-ylmethanamine is NCC1C=CN=CC1.
What is the InChIKey of 3,4-dihydropyridin-4-ylmethanamine?
The InChIKey is OUKATFLTSDSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h1,3-4,6H,2,5,7H2.
What are the key properties of 3,4-dihydropyridin-4-ylmethanamine?
3,4-dihydropyridin-4-ylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-4-ylmethanamine is sourced from PubChem (CID 89076202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).