3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine

C11H19N3 — CID 104539955

IUPAC3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine
SMILESCCC(CC)N(C)c1cccnc1N
InChIInChI=1S/C11H19N3/c1-4-9(5-2)14(3)10-7-6-8-13-11(10)12/h6-9H,4-5H2,1-3H3,(H2,12,13)
InChIKeyJFIYAWMFGFCSIJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds4

About 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine

3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine (PubChem CID 104539955) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine
PubChem CID104539955
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine
SMILESCCC(CC)N(C)c1cccnc1N
InChIInChI=1S/C11H19N3/c1-4-9(5-2)14(3)10-7-6-8-13-11(10)12/h6-9H,4-5H2,1-3H3,(H2,12,13)
InChIKeyJFIYAWMFGFCSIJ-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine (CID 104539955) is 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine is CCC(CC)N(C)c1cccnc1N.
What is the InChIKey of 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine?
The InChIKey is JFIYAWMFGFCSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-9(5-2)14(3)10-7-6-8-13-11(10)12/h6-9H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine?
3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine is sourced from PubChem (CID 104539955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).