N-ethoxy-2-nitropropan-1-amine

C5H12N2O3 — CID 19042189

IUPACN-ethoxy-2-nitropropan-1-amine
SMILESCCONCC(C)[N+](=O)[O-]
InChIInChI=1S/C5H12N2O3/c1-3-10-6-4-5(2)7(8)9/h5-6H,3-4H2,1-2H3
InChIKeyOWPRPUBTDKCJEL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.19
Rot. Bonds5

About N-ethoxy-2-nitropropan-1-amine

N-ethoxy-2-nitropropan-1-amine (PubChem CID 19042189) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is N-ethoxy-2-nitropropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-nitropropan-1-amine
PubChem CID19042189
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC NameN-ethoxy-2-nitropropan-1-amine
SMILESCCONCC(C)[N+](=O)[O-]
InChIInChI=1S/C5H12N2O3/c1-3-10-6-4-5(2)7(8)9/h5-6H,3-4H2,1-2H3
InChIKeyOWPRPUBTDKCJEL-UHFFFAOYSA-N
XLogP0.19
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
2-nitro-1-(2-nitropropoxy)propane
CID 57149941
N-butan-2-ylnitramide
CID 560605
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
2-nitropentadecane
CID 87201105
ethyl 2-nitramidopropanoate
CID 131858521
methyl (2R,5S)-2-methyl-5-nitrohexanoate
CID 94036642
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-(2-chloro-4-nitrophenyl)-N-ethoxymethanamine
CID 64974333
1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
CID 78993353
1-ethoxy-2-nitroethane
CID 19756709

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-nitropropan-1-amine?
The IUPAC name of N-ethoxy-2-nitropropan-1-amine (CID 19042189) is N-ethoxy-2-nitropropan-1-amine.
What is the SMILES notation for N-ethoxy-2-nitropropan-1-amine?
The canonical SMILES for N-ethoxy-2-nitropropan-1-amine is CCONCC(C)[N+](=O)[O-].
What is the InChIKey of N-ethoxy-2-nitropropan-1-amine?
The InChIKey is OWPRPUBTDKCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3-10-6-4-5(2)7(8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of N-ethoxy-2-nitropropan-1-amine?
N-ethoxy-2-nitropropan-1-amine has a molecular weight of 148.16 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-nitropropan-1-amine is sourced from PubChem (CID 19042189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).