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

C6H12N2 — CID 67861468

IUPAC4-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1=C(N)CNCC1
InChIInChI=1S/C6H12N2/c1-5-2-3-8-4-6(5)7/h8H,2-4,7H2,1H3
InChIKeyRDRNPBLXJXNKIC-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.21
Rot. Bonds

About 4-methyl-1,2,3,6-tetrahydropyridin-5-amine

4-methyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 67861468) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-methyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-methyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID67861468
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1=C(N)CNCC1
InChIInChI=1S/C6H12N2/c1-5-2-3-8-4-6(5)7/h8H,2-4,7H2,1H3
InChIKeyRDRNPBLXJXNKIC-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridin-5-amine (CID 67861468) is 4-methyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-methyl-1,2,3,6-tetrahydropyridin-5-amine is CC1=C(N)CNCC1.
What is the InChIKey of 4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is RDRNPBLXJXNKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-3-8-4-6(5)7/h8H,2-4,7H2,1H3.
What are the key properties of 4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
4-methyl-1,2,3,6-tetrahydropyridin-5-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 4-methyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 67861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).