4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine

C17H31N3 — CID 107818927

IUPAC4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCCCCCCC(C)C)ccn1
InChIInChI=1S/C17H31N3/c1-4-11-19-17-14-16(10-13-20-17)18-12-8-6-5-7-9-15(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyWEUDTDVASVWTBI-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.92
Rot. Bonds11

About 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine

4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 107818927) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
PubChem CID107818927
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCCCCCCC(C)C)ccn1
InChIInChI=1S/C17H31N3/c1-4-11-19-17-14-16(10-13-20-17)18-12-8-6-5-7-9-15(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyWEUDTDVASVWTBI-UHFFFAOYSA-N
XLogP4.92
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
CID 113367731
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine (CID 107818927) is 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NCCCCCCC(C)C)ccn1.
What is the InChIKey of 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is WEUDTDVASVWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-11-19-17-14-16(10-13-20-17)18-12-8-6-5-7-9-15(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine?
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 277.46 g/mol, XLogP of 4.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 107818927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).