N-(3-methylbutyl)-6-nitroquinolin-2-amine

C14H17N3O2 — CID 43450897

IUPACN-(3-methylbutyl)-6-nitroquinolin-2-amine
SMILESCC(C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O2/c1-10(2)7-8-15-14-6-3-11-9-12(17(18)19)4-5-13(11)16-14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyHAOXGXNAWDKOPM-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.60
Rot. Bonds5

About N-(3-methylbutyl)-6-nitroquinolin-2-amine

N-(3-methylbutyl)-6-nitroquinolin-2-amine (PubChem CID 43450897) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-nitroquinolin-2-amine
PubChem CID43450897
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-methylbutyl)-6-nitroquinolin-2-amine
SMILESCC(C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O2/c1-10(2)7-8-15-14-6-3-11-9-12(17(18)19)4-5-13(11)16-14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyHAOXGXNAWDKOPM-UHFFFAOYSA-N
XLogP3.60
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.60
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

6-nitro-N-propylquinolin-2-amine
CID 43450859
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(3-methylbutyl)-6-nitroquinolin-2-amine (CID 43450897) is N-(3-methylbutyl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(3-methylbutyl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(3-methylbutyl)-6-nitroquinolin-2-amine is CC(C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(3-methylbutyl)-6-nitroquinolin-2-amine?
The InChIKey is HAOXGXNAWDKOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)7-8-15-14-6-3-11-9-12(17(18)19)4-5-13(11)16-14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methylbutyl)-6-nitroquinolin-2-amine?
N-(3-methylbutyl)-6-nitroquinolin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 43450897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).