3-methyl-2,3,4,5-tetrahydropyridin-6-amine

C6H12N2 — CID 15453846

IUPAC3-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1CCC(N)=NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyOQYPAQURYOEEGO-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.77
Rot. Bonds

About 3-methyl-2,3,4,5-tetrahydropyridin-6-amine

3-methyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 15453846) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-methyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name3-methyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID15453846
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1CCC(N)=NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyOQYPAQURYOEEGO-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 3-methyl-2,3,4,5-tetrahydropyridin-6-amine (CID 15453846) is 3-methyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 3-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 3-methyl-2,3,4,5-tetrahydropyridin-6-amine is CC1CCC(N)=NC1.
What is the InChIKey of 3-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is OQYPAQURYOEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8).
What are the key properties of 3-methyl-2,3,4,5-tetrahydropyridin-6-amine?
3-methyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 112.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 15453846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).