6-N-octan-2-ylpyridine-2,6-diamine

C13H23N3 — CID 80648074

IUPAC6-N-octan-2-ylpyridine-2,6-diamine
SMILESCCCCCCC(C)Nc1cccc(N)n1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)15-13-10-7-9-12(14)16-13/h7,9-11H,3-6,8H2,1-2H3,(H3,14,15,16)
InChIKeyIPTMCHDCSZVYDP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.43
Rot. Bonds7

About 6-N-octan-2-ylpyridine-2,6-diamine

6-N-octan-2-ylpyridine-2,6-diamine (PubChem CID 80648074) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-N-octan-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-octan-2-ylpyridine-2,6-diamine
PubChem CID80648074
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-N-octan-2-ylpyridine-2,6-diamine
SMILESCCCCCCC(C)Nc1cccc(N)n1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)15-13-10-7-9-12(14)16-13/h7,9-11H,3-6,8H2,1-2H3,(H3,14,15,16)
InChIKeyIPTMCHDCSZVYDP-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.43
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-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
N-hexan-2-yl-6-methylpyridin-2-amine
CID 62199495
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
CID 80647171
N-octan-2-ylpyridazin-3-amine
CID 62481019
6-N-hexan-3-ylpyridine-2,6-diamine
CID 80647513
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315

Frequently Asked Questions

What is the IUPAC name of 6-N-octan-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-octan-2-ylpyridine-2,6-diamine (CID 80648074) is 6-N-octan-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-octan-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-octan-2-ylpyridine-2,6-diamine is CCCCCCC(C)Nc1cccc(N)n1.
What is the InChIKey of 6-N-octan-2-ylpyridine-2,6-diamine?
The InChIKey is IPTMCHDCSZVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)15-13-10-7-9-12(14)16-13/h7,9-11H,3-6,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 6-N-octan-2-ylpyridine-2,6-diamine?
6-N-octan-2-ylpyridine-2,6-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-octan-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 80648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).