4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine

C15H19N3O2 — CID 63197337

IUPAC4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
SMILESCC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)N
InChIInChI=1S/C15H19N3O2/c1-9(2)15(10(3)16)14-6-4-11-8-12(18(19)20)5-7-13(11)17-14/h4-10,15H,16H2,1-3H3
InChIKeyAGDGZDHPUZGZCR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.23
Rot. Bonds4

About 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine

4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine (PubChem CID 63197337) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
PubChem CID63197337
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
SMILESCC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)N
InChIInChI=1S/C15H19N3O2/c1-9(2)15(10(3)16)14-6-4-11-8-12(18(19)20)5-7-13(11)17-14/h4-10,15H,16H2,1-3H3
InChIKeyAGDGZDHPUZGZCR-UHFFFAOYSA-N
XLogP3.23
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63200183
1-(5-nitroindazol-2-yl)ethanamine
CID 162721802
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
2-(6-nitroquinolin-2-yl)pentanoic acid
CID 104571904
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
2-(6-nitroquinolin-2-yl)sulfanylpropanoic acid
CID 43450803
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The IUPAC name of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine (CID 63197337) is 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine is CC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)N.
What is the InChIKey of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The InChIKey is AGDGZDHPUZGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)15(10(3)16)14-6-4-11-8-12(18(19)20)5-7-13(11)17-14/h4-10,15H,16H2,1-3H3.
What are the key properties of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine is sourced from PubChem (CID 63197337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).