N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine

C13H21N3 — CID 80764174

IUPACN-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine
SMILESCCNc1cccc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(2)10-16/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15)
InChIKeyWLFXEJUYPXNWCL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds3

About N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine

N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine (PubChem CID 80764174) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine
PubChem CID80764174
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine
SMILESCCNc1cccc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(2)10-16/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15)
InChIKeyWLFXEJUYPXNWCL-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine (CID 80764174) is N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine is CCNc1cccc(N2CCCC(C)C2)n1.
What is the InChIKey of N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine?
The InChIKey is WLFXEJUYPXNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(2)10-16/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine?
N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 80764174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).