6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine

C12H21N5 — CID 79826659

IUPAC6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
SMILESCN(CCN1CCCC1)c1ccc(N)c(N)n1
InChIInChI=1S/C12H21N5/c1-16(8-9-17-6-2-3-7-17)11-5-4-10(13)12(14)15-11/h4-5H,2-3,6-9,13H2,1H3,(H2,14,15)
InChIKeyWNMSNHGRDPHXSE-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.78
Rot. Bonds4

About 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine

6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine (PubChem CID 79826659) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
PubChem CID79826659
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
SMILESCN(CCN1CCCC1)c1ccc(N)c(N)n1
InChIInChI=1S/C12H21N5/c1-16(8-9-17-6-2-3-7-17)11-5-4-10(13)12(14)15-11/h4-5H,2-3,6-9,13H2,1H3,(H2,14,15)
InChIKeyWNMSNHGRDPHXSE-UHFFFAOYSA-N
XLogP0.78
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine (CID 79826659) is 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine is CN(CCN1CCCC1)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine?
The InChIKey is WNMSNHGRDPHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(8-9-17-6-2-3-7-17)11-5-4-10(13)12(14)15-11/h4-5H,2-3,6-9,13H2,1H3,(H2,14,15).
What are the key properties of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine?
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79826659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).