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

C11H18N4O2 — CID 63888017

IUPAC2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-11(4-2,8-12)14-10-9(15(16)17)6-5-7-13-10/h5-7H,3-4,8,12H2,1-2H3,(H,13,14)
InChIKeyYTSPHRUQENQKFY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.92
Rot. Bonds6

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

2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine (PubChem CID 63888017) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine
PubChem CID63888017
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-11(4-2,8-12)14-10-9(15(16)17)6-5-7-13-10/h5-7H,3-4,8,12H2,1-2H3,(H,13,14)
InChIKeyYTSPHRUQENQKFY-UHFFFAOYSA-N
XLogP1.92
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.92
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

N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
2-ethyl-2-N-(2-methyl-6-nitrophenyl)butane-1,2-diamine
CID 115553875
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
CID 115308946
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine
CID 83064614
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
2-N-(3-ethoxy-4-nitrophenyl)-2-ethylbutane-1,2-diamine
CID 63887031

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine (CID 63888017) is 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine is CCC(CC)(CN)Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine?
The InChIKey is YTSPHRUQENQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-11(4-2,8-12)14-10-9(15(16)17)6-5-7-13-10/h5-7H,3-4,8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine?
2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 63888017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).