4-N-heptan-2-ylquinoline-4,8-diamine

C16H23N3 — CID 83060293

IUPAC4-N-heptan-2-ylquinoline-4,8-diamine
SMILESCCCCCC(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-11-18-16-13(15)8-6-9-14(16)17/h6,8-12H,3-5,7,17H2,1-2H3,(H,18,19)
InChIKeyADZCLIUCLMWVRI-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds6

About 4-N-heptan-2-ylquinoline-4,8-diamine

4-N-heptan-2-ylquinoline-4,8-diamine (PubChem CID 83060293) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-N-heptan-2-ylquinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-heptan-2-ylquinoline-4,8-diamine
PubChem CID83060293
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-N-heptan-2-ylquinoline-4,8-diamine
SMILESCCCCCC(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-11-18-16-13(15)8-6-9-14(16)17/h6,8-12H,3-5,7,17H2,1-2H3,(H,18,19)
InChIKeyADZCLIUCLMWVRI-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
4-octan-2-yloxyquinolin-8-amine
CID 83060551
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198

Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-2-ylquinoline-4,8-diamine?
The IUPAC name of 4-N-heptan-2-ylquinoline-4,8-diamine (CID 83060293) is 4-N-heptan-2-ylquinoline-4,8-diamine.
What is the SMILES notation for 4-N-heptan-2-ylquinoline-4,8-diamine?
The canonical SMILES for 4-N-heptan-2-ylquinoline-4,8-diamine is CCCCCC(C)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-heptan-2-ylquinoline-4,8-diamine?
The InChIKey is ADZCLIUCLMWVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-11-18-16-13(15)8-6-9-14(16)17/h6,8-12H,3-5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-N-heptan-2-ylquinoline-4,8-diamine?
4-N-heptan-2-ylquinoline-4,8-diamine has a molecular weight of 257.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-2-ylquinoline-4,8-diamine is sourced from PubChem (CID 83060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).