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

C15H19N3O2 — CID 63200183

IUPACN-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
SMILESCCC(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)NC
InChIInChI=1S/C15H19N3O2/c1-4-13(10(2)16-3)15-7-5-11-9-12(18(19)20)6-8-14(11)17-15/h5-10,13,16H,4H2,1-3H3
InChIKeyAEDWWVQTEBKTRR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.24
Rot. Bonds5

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

N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine (PubChem CID 63200183) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
PubChem CID63200183
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
SMILESCCC(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)NC
InChIInChI=1S/C15H19N3O2/c1-4-13(10(2)16-3)15-7-5-11-9-12(18(19)20)6-8-14(11)17-15/h5-10,13,16H,4H2,1-3H3
InChIKeyAEDWWVQTEBKTRR-UHFFFAOYSA-N
XLogP3.24
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.24
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

N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
N-methyl-3-(2-methyl-4-nitrophenyl)pentan-2-amine
CID 63200824
3-(2-bromo-4-nitrophenyl)-N-methylpentan-2-amine
CID 63200584
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961
2-(6-nitroquinolin-2-yl)pentanoic acid
CID 104571904
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
1-(6-nitroquinolin-2-yl)butan-2-ol
CID 63201553
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
6-nitro-N-propylquinolin-2-amine
CID 43450859

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The IUPAC name of N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine (CID 63200183) is N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The canonical SMILES for N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine is CCC(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)NC.
What is the InChIKey of N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
The InChIKey is AEDWWVQTEBKTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-13(10(2)16-3)15-7-5-11-9-12(18(19)20)6-8-14(11)17-15/h5-10,13,16H,4H2,1-3H3.
What are the key properties of N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine?
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine is sourced from PubChem (CID 63200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).