5-N-octan-4-ylquinoline-5,8-diamine

C17H25N3 — CID 106022461

IUPAC5-N-octan-4-ylquinoline-5,8-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C17H25N3/c1-3-5-8-13(7-4-2)20-16-11-10-15(18)17-14(16)9-6-12-19-17/h6,9-13,20H,3-5,7-8,18H2,1-2H3
InChIKeyCICFDTYJLNMWGJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.59
Rot. Bonds7

About 5-N-octan-4-ylquinoline-5,8-diamine

5-N-octan-4-ylquinoline-5,8-diamine (PubChem CID 106022461) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-N-octan-4-ylquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-octan-4-ylquinoline-5,8-diamine
PubChem CID106022461
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-N-octan-4-ylquinoline-5,8-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C17H25N3/c1-3-5-8-13(7-4-2)20-16-11-10-15(18)17-14(16)9-6-12-19-17/h6,9-13,20H,3-5,7-8,18H2,1-2H3
InChIKeyCICFDTYJLNMWGJ-UHFFFAOYSA-N
XLogP4.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
CID 116783677
5-N-(propylsulfamoyl)quinoline-5,8-diamine
CID 114804992
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N-heptan-4-yl-2-methylpyridin-3-amine
CID 79041717

Frequently Asked Questions

What is the IUPAC name of 5-N-octan-4-ylquinoline-5,8-diamine?
The IUPAC name of 5-N-octan-4-ylquinoline-5,8-diamine (CID 106022461) is 5-N-octan-4-ylquinoline-5,8-diamine.
What is the SMILES notation for 5-N-octan-4-ylquinoline-5,8-diamine?
The canonical SMILES for 5-N-octan-4-ylquinoline-5,8-diamine is CCCCC(CCC)Nc1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-octan-4-ylquinoline-5,8-diamine?
The InChIKey is CICFDTYJLNMWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-8-13(7-4-2)20-16-11-10-15(18)17-14(16)9-6-12-19-17/h6,9-13,20H,3-5,7-8,18H2,1-2H3.
What are the key properties of 5-N-octan-4-ylquinoline-5,8-diamine?
5-N-octan-4-ylquinoline-5,8-diamine has a molecular weight of 271.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-octan-4-ylquinoline-5,8-diamine is sourced from PubChem (CID 106022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).