2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine

C15H20N4O2 — CID 115310824

IUPAC2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-13-7-6-12-11(5-4-8-17-12)14(13)19(20)21/h4-8,10,18H,9,16H2,1-3H3
InChIKeyRHBFFDMWGQTSRP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds5

About 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine

2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine (PubChem CID 115310824) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
PubChem CID115310824
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-13-7-6-12-11(5-4-8-17-12)14(13)19(20)21/h4-8,10,18H,9,16H2,1-3H3
InChIKeyRHBFFDMWGQTSRP-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

2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115310850
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
5-nitro-N-(4,4,4-trifluorobutan-2-yl)quinolin-6-amine
CID 104854563
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine
CID 115658194
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
ethyl 2-[(5-nitroquinolin-6-yl)amino]propanoate
CID 61499171
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine (CID 115310824) is 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine is CC(C)C(C)(CN)Nc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine?
The InChIKey is RHBFFDMWGQTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)15(3,9-16)18-13-7-6-12-11(5-4-8-17-12)14(13)19(20)21/h4-8,10,18H,9,16H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine?
2,3-dimethyl-2-N-(5-nitroquinolin-6-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-(5-nitroquinolin-6-yl)butane-1,2-diamine is sourced from PubChem (CID 115310824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).