2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine

C15H20N4O2 — CID 115310850

IUPAC2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-12-6-7-13(19(20)21)14-11(12)5-4-8-17-14/h4-8,10,18H,9,16H2,1-3H3
InChIKeyWDANEAXOWHMQTO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds5

About 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine

2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine (PubChem CID 115310850) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
PubChem CID115310850
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-12-6-7-13(19(20)21)14-11(12)5-4-8-17-14/h4-8,10,18H,9,16H2,1-3H3
InChIKeyWDANEAXOWHMQTO-UHFFFAOYSA-N
XLogP2.93
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115
2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
CID 115310824
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-methyl-3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 64700007
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide
CID 106170758

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine (CID 115310850) is 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine is CC(C)C(C)(CN)Nc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine?
The InChIKey is WDANEAXOWHMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-12-6-7-13(19(20)21)14-11(12)5-4-8-17-14/h4-8,10,18H,9,16H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine?
2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine is sourced from PubChem (CID 115310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).