6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine

C11H20N4 — CID 79828067

IUPAC6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine
SMILESCCC(CC)N(C)c1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-4-8(5-2)15(3)10-7-6-9(12)11(13)14-10/h6-8H,4-5,12H2,1-3H3,(H2,13,14)
InChIKeyHQUJYMWMQQIESK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.87
Rot. Bonds4

About 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine

6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine (PubChem CID 79828067) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine
PubChem CID79828067
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine
SMILESCCC(CC)N(C)c1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-4-8(5-2)15(3)10-7-6-9(12)11(13)14-10/h6-8H,4-5,12H2,1-3H3,(H2,13,14)
InChIKeyHQUJYMWMQQIESK-UHFFFAOYSA-N
XLogP1.87
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine (CID 79828067) is 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine is CCC(CC)N(C)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine?
The InChIKey is HQUJYMWMQQIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-8(5-2)15(3)10-7-6-9(12)11(13)14-10/h6-8H,4-5,12H2,1-3H3,(H2,13,14).
What are the key properties of 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine?
6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine has a molecular weight of 208.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine is sourced from PubChem (CID 79828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).