6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine

C17H31N3 — CID 107818930

IUPAC6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCCCCCCC(C)C)n1
InChIInChI=1S/C17H31N3/c1-4-13-18-16-11-9-12-17(20-16)19-14-8-6-5-7-10-15(2)3/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H2,18,19,20)
InChIKeyIYXQQXZSGDNWKE-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.92
Rot. Bonds11

About 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine

6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 107818930) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
PubChem CID107818930
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCCCCCCC(C)C)n1
InChIInChI=1S/C17H31N3/c1-4-13-18-16-11-9-12-17(20-16)19-14-8-6-5-7-10-15(2)3/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H2,18,19,20)
InChIKeyIYXQQXZSGDNWKE-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

6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885

Frequently Asked Questions

What is the IUPAC name of 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine (CID 107818930) is 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCCCCCCC(C)C)n1.
What is the InChIKey of 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is IYXQQXZSGDNWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-13-18-16-11-9-12-17(20-16)19-14-8-6-5-7-10-15(2)3/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine?
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-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 6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 107818930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).