2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine

C13H21N3 — CID 66278455

IUPAC2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(N2CCCC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H21N3/c1-10-7-11(14)12(15-8-10)16-6-4-5-13(2,3)9-16/h7-8H,4-6,9,14H2,1-3H3
InChIKeyCJRGOOYUMFCFBD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds1

About 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine

2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine (PubChem CID 66278455) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
PubChem CID66278455
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(N2CCCC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H21N3/c1-10-7-11(14)12(15-8-10)16-6-4-5-13(2,3)9-16/h7-8H,4-6,9,14H2,1-3H3
InChIKeyCJRGOOYUMFCFBD-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine (CID 66278455) is 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine is Cc1cnc(N2CCCC(C)(C)C2)c(N)c1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine?
The InChIKey is CJRGOOYUMFCFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-11(14)12(15-8-10)16-6-4-5-13(2,3)9-16/h7-8H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine?
2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 66278455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).