5-N-(5-methylhexyl)quinoline-5,8-diamine

C16H23N3 — CID 115324702

IUPAC5-N-(5-methylhexyl)quinoline-5,8-diamine
SMILESCC(C)CCCCNc1ccc(N)c2ncccc12
InChIInChI=1S/C16H23N3/c1-12(2)6-3-4-10-18-15-9-8-14(17)16-13(15)7-5-11-19-16/h5,7-9,11-12,18H,3-4,6,10,17H2,1-2H3
InChIKeyQRKYFQGWCZJSAO-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.06
Rot. Bonds6

About 5-N-(5-methylhexyl)quinoline-5,8-diamine

5-N-(5-methylhexyl)quinoline-5,8-diamine (PubChem CID 115324702) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-N-(5-methylhexyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(5-methylhexyl)quinoline-5,8-diamine
PubChem CID115324702
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-N-(5-methylhexyl)quinoline-5,8-diamine
SMILESCC(C)CCCCNc1ccc(N)c2ncccc12
InChIInChI=1S/C16H23N3/c1-12(2)6-3-4-10-18-15-9-8-14(17)16-13(15)7-5-11-19-16/h5,7-9,11-12,18H,3-4,6,10,17H2,1-2H3
InChIKeyQRKYFQGWCZJSAO-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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

1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-methylhexyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(5-methylhexyl)quinoline-5,8-diamine (CID 115324702) is 5-N-(5-methylhexyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(5-methylhexyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(5-methylhexyl)quinoline-5,8-diamine is CC(C)CCCCNc1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-(5-methylhexyl)quinoline-5,8-diamine?
The InChIKey is QRKYFQGWCZJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)6-3-4-10-18-15-9-8-14(17)16-13(15)7-5-11-19-16/h5,7-9,11-12,18H,3-4,6,10,17H2,1-2H3.
What are the key properties of 5-N-(5-methylhexyl)quinoline-5,8-diamine?
5-N-(5-methylhexyl)quinoline-5,8-diamine has a molecular weight of 257.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-methylhexyl)quinoline-5,8-diamine is sourced from PubChem (CID 115324702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).