1,4-dihydropyridin-2-ylmethanamine

C6H10N2 — CID 19828689

IUPAC1,4-dihydropyridin-2-ylmethanamine
SMILESNCC1=CCC=CN1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2-4,8H,1,5,7H2
InChIKeyYTFFRMJMYKCITI-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.34
Rot. Bonds1

About 1,4-dihydropyridin-2-ylmethanamine

1,4-dihydropyridin-2-ylmethanamine (PubChem CID 19828689) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,4-dihydropyridin-2-ylmethanamine.

Molecular Properties

Compound Name1,4-dihydropyridin-2-ylmethanamine
PubChem CID19828689
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,4-dihydropyridin-2-ylmethanamine
SMILESNCC1=CCC=CN1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2-4,8H,1,5,7H2
InChIKeyYTFFRMJMYKCITI-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridin-2-ylmethanamine?
The IUPAC name of 1,4-dihydropyridin-2-ylmethanamine (CID 19828689) is 1,4-dihydropyridin-2-ylmethanamine.
What is the SMILES notation for 1,4-dihydropyridin-2-ylmethanamine?
The canonical SMILES for 1,4-dihydropyridin-2-ylmethanamine is NCC1=CCC=CN1.
What is the InChIKey of 1,4-dihydropyridin-2-ylmethanamine?
The InChIKey is YTFFRMJMYKCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2-4,8H,1,5,7H2.
What are the key properties of 1,4-dihydropyridin-2-ylmethanamine?
1,4-dihydropyridin-2-ylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridin-2-ylmethanamine is sourced from PubChem (CID 19828689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).