2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine

C11H18N4O2 — CID 113284079

IUPAC2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H18N4O2/c1-8(2)11(3,7-12)14-10-6-9(15(16)17)4-5-13-10/h4-6,8H,7,12H2,1-3H3,(H,13,14)
InChIKeyFTJJMEGPKZXXOC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.78
Rot. Bonds5

About 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine

2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine (PubChem CID 113284079) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine
PubChem CID113284079
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H18N4O2/c1-8(2)11(3,7-12)14-10-6-9(15(16)17)4-5-13-10/h4-6,8H,7,12H2,1-3H3,(H,13,14)
InChIKeyFTJJMEGPKZXXOC-UHFFFAOYSA-N
XLogP1.78
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.78
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-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide
CID 115310819
2,3-dimethyl-2-N-(3-methyl-5-nitrophenyl)butane-1,2-diamine
CID 112649572
2-ethyl-2-[(4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866257
N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
CID 79563520
N-but-3-yn-2-yl-4-nitropyridin-2-amine
CID 114418011
1-N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzene-1,3-diamine
CID 106749964
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115310850
2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
CID 115310824
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 81485966
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine (CID 113284079) is 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine is CC(C)C(C)(CN)Nc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine?
The InChIKey is FTJJMEGPKZXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)11(3,7-12)14-10-6-9(15(16)17)4-5-13-10/h4-6,8H,7,12H2,1-3H3,(H,13,14).
What are the key properties of 2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine?
2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.78, 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-(4-nitro-2-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 113284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).