3-methyl-3,4-dihydropyridin-4-amine

C6H10N2 — CID 142948382

IUPAC3-methyl-3,4-dihydropyridin-4-amine
SMILESCC1C=NC=CC1N
InChIInChI=1S/C6H10N2/c1-5-4-8-3-2-6(5)7/h2-6H,7H2,1H3
InChIKeyPCORXKURSFFZLV-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.55
Rot. Bonds

About 3-methyl-3,4-dihydropyridin-4-amine

3-methyl-3,4-dihydropyridin-4-amine (PubChem CID 142948382) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-3,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydropyridin-4-amine
PubChem CID142948382
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-methyl-3,4-dihydropyridin-4-amine
SMILESCC1C=NC=CC1N
InChIInChI=1S/C6H10N2/c1-5-4-8-3-2-6(5)7/h2-6H,7H2,1H3
InChIKeyPCORXKURSFFZLV-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydropyridin-4-amine?
The IUPAC name of 3-methyl-3,4-dihydropyridin-4-amine (CID 142948382) is 3-methyl-3,4-dihydropyridin-4-amine.
What is the SMILES notation for 3-methyl-3,4-dihydropyridin-4-amine?
The canonical SMILES for 3-methyl-3,4-dihydropyridin-4-amine is CC1C=NC=CC1N.
What is the InChIKey of 3-methyl-3,4-dihydropyridin-4-amine?
The InChIKey is PCORXKURSFFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-4-8-3-2-6(5)7/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-3,4-dihydropyridin-4-amine?
3-methyl-3,4-dihydropyridin-4-amine has a molecular weight of 110.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydropyridin-4-amine is sourced from PubChem (CID 142948382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).