4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine

C15H27N3 — CID 113367946

IUPAC4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(CC)CC(C)CC)ccn1
InChIInChI=1S/C15H27N3/c1-5-9-16-15-11-14(8-10-17-15)18(7-3)12-13(4)6-2/h8,10-11,13H,5-7,9,12H2,1-4H3,(H,16,17)
InChIKeyOYJDZHBDODUQGE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds8

About 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine

4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 113367946) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
PubChem CID113367946
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(CC)CC(C)CC)ccn1
InChIInChI=1S/C15H27N3/c1-5-9-16-15-11-14(8-10-17-15)18(7-3)12-13(4)6-2/h8,10-11,13H,5-7,9,12H2,1-4H3,(H,16,17)
InChIKeyOYJDZHBDODUQGE-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine
CID 113367538
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-methylpyridine-2,4-diamine
CID 113367600
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
CID 113368019
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine (CID 113367946) is 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(N(CC)CC(C)CC)ccn1.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is OYJDZHBDODUQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-16-15-11-14(8-10-17-15)18(7-3)12-13(4)6-2/h8,10-11,13H,5-7,9,12H2,1-4H3,(H,16,17).
What are the key properties of 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine?
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 113367946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).