6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine

C13H22N4 — CID 80647967

IUPAC6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
SMILESCC(CNc1cccc(N)n1)CN1CCCC1
InChIInChI=1S/C13H22N4/c1-11(10-17-7-2-3-8-17)9-15-13-6-4-5-12(14)16-13/h4-6,11H,2-3,7-10H2,1H3,(H3,14,15,16)
InChIKeyVIHGVKISOGLCHN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.81
Rot. Bonds5

About 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine

6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine (PubChem CID 80647967) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
PubChem CID80647967
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
SMILESCC(CNc1cccc(N)n1)CN1CCCC1
InChIInChI=1S/C13H22N4/c1-11(10-17-7-2-3-8-17)9-15-13-6-4-5-12(14)16-13/h4-6,11H,2-3,7-10H2,1H3,(H3,14,15,16)
InChIKeyVIHGVKISOGLCHN-UHFFFAOYSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 62991684
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79892931
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964286
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
CID 66286242
6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 60967444

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine (CID 80647967) is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine is CC(CNc1cccc(N)n1)CN1CCCC1.
What is the InChIKey of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The InChIKey is VIHGVKISOGLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(10-17-7-2-3-8-17)9-15-13-6-4-5-12(14)16-13/h4-6,11H,2-3,7-10H2,1H3,(H3,14,15,16).
What are the key properties of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).