3-methyl-2,5-dihydropyridin-6-amine

C6H10N2 — CID 45116663

IUPAC3-methyl-2,5-dihydropyridin-6-amine
SMILESCC1=CCC(N)=NC1
InChIInChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h2H,3-4H2,1H3,(H2,7,8)
InChIKeyFOWXAUUEFNNZIE-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds

About 3-methyl-2,5-dihydropyridin-6-amine

3-methyl-2,5-dihydropyridin-6-amine (PubChem CID 45116663) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-2,5-dihydropyridin-6-amine.

Molecular Properties

Compound Name3-methyl-2,5-dihydropyridin-6-amine
PubChem CID45116663
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-methyl-2,5-dihydropyridin-6-amine
SMILESCC1=CCC(N)=NC1
InChIInChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h2H,3-4H2,1H3,(H2,7,8)
InChIKeyFOWXAUUEFNNZIE-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydropyridin-6-amine?
The IUPAC name of 3-methyl-2,5-dihydropyridin-6-amine (CID 45116663) is 3-methyl-2,5-dihydropyridin-6-amine.
What is the SMILES notation for 3-methyl-2,5-dihydropyridin-6-amine?
The canonical SMILES for 3-methyl-2,5-dihydropyridin-6-amine is CC1=CCC(N)=NC1.
What is the InChIKey of 3-methyl-2,5-dihydropyridin-6-amine?
The InChIKey is FOWXAUUEFNNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h2H,3-4H2,1H3,(H2,7,8).
What are the key properties of 3-methyl-2,5-dihydropyridin-6-amine?
3-methyl-2,5-dihydropyridin-6-amine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydropyridin-6-amine is sourced from PubChem (CID 45116663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).