8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine

C15H21N3 — CID 43382933

IUPAC8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
SMILESCC(C)CC(C)Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3/c1-10(2)9-11(3)18-14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,10-11,18H,9,16H2,1-3H3
InChIKeyKGXSCFGMTWFZDD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.66
Rot. Bonds4

About 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine

8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine (PubChem CID 43382933) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
PubChem CID43382933
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
SMILESCC(C)CC(C)Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3/c1-10(2)9-11(3)18-14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,10-11,18H,9,16H2,1-3H3
InChIKeyKGXSCFGMTWFZDD-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine (CID 43382933) is 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine is CC(C)CC(C)Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The InChIKey is KGXSCFGMTWFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)9-11(3)18-14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,10-11,18H,9,16H2,1-3H3.
What are the key properties of 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 43382933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).