1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine

C11H15N3O3 — CID 71144946

IUPAC1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
SMILESCNC(COc1ncccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H15N3O3/c1-12-9(8-4-5-8)7-17-11-10(14(15)16)3-2-6-13-11/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyVYENROKLTMYPIZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.37
Rot. Bonds6

About 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine

1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine (PubChem CID 71144946) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
PubChem CID71144946
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
SMILESCNC(COc1ncccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H15N3O3/c1-12-9(8-4-5-8)7-17-11-10(14(15)16)3-2-6-13-11/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyVYENROKLTMYPIZ-UHFFFAOYSA-N
XLogP1.37
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.37
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'}

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Related Compounds

2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
2-cyclopentyloxy-3-nitropyridine
CID 124707283
1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
CID 115554145
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
1-cyclopropyl-N-methyl-2-(2-nitrophenyl)sulfonylethanamine
CID 64646113
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine
CID 66279858
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 55200912
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine (CID 71144946) is 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine is CNC(COc1ncccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine?
The InChIKey is VYENROKLTMYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-9(8-4-5-8)7-17-11-10(14(15)16)3-2-6-13-11/h2-3,6,8-9,12H,4-5,7H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine?
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine has a molecular weight of 237.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 71144946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).