5-methyl-1,2,3,6-tetrahydropyridin-2-amine

C6H12N2 — CID 139439513

IUPAC5-methyl-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC1=CCC(N)NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h2,6,8H,3-4,7H2,1H3
InChIKeyHXINQNJRUOHDFW-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.21
Rot. Bonds

About 5-methyl-1,2,3,6-tetrahydropyridin-2-amine

5-methyl-1,2,3,6-tetrahydropyridin-2-amine (PubChem CID 139439513) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-methyl-1,2,3,6-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-1,2,3,6-tetrahydropyridin-2-amine
PubChem CID139439513
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-methyl-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC1=CCC(N)NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h2,6,8H,3-4,7H2,1H3
InChIKeyHXINQNJRUOHDFW-UHFFFAOYSA-N
XLogP0.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 5-methyl-1,2,3,6-tetrahydropyridin-2-amine?
The IUPAC name of 5-methyl-1,2,3,6-tetrahydropyridin-2-amine (CID 139439513) is 5-methyl-1,2,3,6-tetrahydropyridin-2-amine.
What is the SMILES notation for 5-methyl-1,2,3,6-tetrahydropyridin-2-amine?
The canonical SMILES for 5-methyl-1,2,3,6-tetrahydropyridin-2-amine is CC1=CCC(N)NC1.
What is the InChIKey of 5-methyl-1,2,3,6-tetrahydropyridin-2-amine?
The InChIKey is HXINQNJRUOHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h2,6,8H,3-4,7H2,1H3.
What are the key properties of 5-methyl-1,2,3,6-tetrahydropyridin-2-amine?
5-methyl-1,2,3,6-tetrahydropyridin-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,6-tetrahydropyridin-2-amine is sourced from PubChem (CID 139439513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).