4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine

C13H23N3O — CID 55004103

IUPAC4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
SMILESCCC(CC)N(CCOC)c1ccncc1N
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)16(8-9-17-3)13-6-7-15-10-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyYRWOUAZITBXOJF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.31
Rot. Bonds7

About 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine

4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine (PubChem CID 55004103) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
PubChem CID55004103
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
SMILESCCC(CC)N(CCOC)c1ccncc1N
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)16(8-9-17-3)13-6-7-15-10-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyYRWOUAZITBXOJF-UHFFFAOYSA-N
XLogP2.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine (CID 55004103) is 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine is CCC(CC)N(CCOC)c1ccncc1N.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine?
The InChIKey is YRWOUAZITBXOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-11(5-2)16(8-9-17-3)13-6-7-15-10-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine?
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine is sourced from PubChem (CID 55004103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).