2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine

C10H15N3O3 — CID 64571278

IUPAC2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-3-10(2,11)7-16-9-8(13(14)15)5-4-6-12-9/h4-6H,3,7,11H2,1-2H3
InChIKeyLPBCPPPPLIWFSJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.50
Rot. Bonds5

About 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine

2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine (PubChem CID 64571278) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine
PubChem CID64571278
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-3-10(2,11)7-16-9-8(13(14)15)5-4-6-12-9/h4-6H,3,7,11H2,1-2H3
InChIKeyLPBCPPPPLIWFSJ-UHFFFAOYSA-N
XLogP1.50
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
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'}

Analyze 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
CID 71756745
2-methyl-1-[(2-nitrophenyl)methoxy]butan-2-amine
CID 64572741
2-methyl-1-(5-nitroquinolin-6-yl)oxybutan-2-amine
CID 64571499
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374
1-[(3-bromo-5-nitro-4-pyridinyl)oxy]-2-methylbutan-2-amine
CID 103519820
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
1-(4-methoxy-2-nitrophenoxy)-2-methylbutan-2-amine
CID 64574065
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
1-[(4-chloro-2-nitrophenyl)methoxy]-2-methylbutan-2-amine
CID 64574031
2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine
CID 63888017
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine?
The IUPAC name of 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine (CID 64571278) is 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine.
What is the SMILES notation for 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine?
The canonical SMILES for 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine is CCC(C)(N)COc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine?
The InChIKey is LPBCPPPPLIWFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-10(2,11)7-16-9-8(13(14)15)5-4-6-12-9/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine?
2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine is sourced from PubChem (CID 64571278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).