1-methoxypropane;N-methylethenamine;1-nitropropane

C10H24N2O3 — CID 144612260

IUPAC1-methoxypropane;N-methylethenamine;1-nitropropane
SMILESC=CNC.CCCOC.CCC[N+](=O)[O-]
InChIInChI=1S/C4H10O.C3H7NO2.C3H7N/c1-3-4-5-2;1-2-3-4(5)6;1-3-4-2/h3-4H2,1-2H3;2-3H2,1H3;3-4H,1H2,2H3
InChIKeyMHFYULULOKMXCL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.07
Rot. Bonds5

About 1-methoxypropane;N-methylethenamine;1-nitropropane

1-methoxypropane;N-methylethenamine;1-nitropropane (PubChem CID 144612260) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxypropane;N-methylethenamine;1-nitropropane.

Molecular Properties

Compound Name1-methoxypropane;N-methylethenamine;1-nitropropane
PubChem CID144612260
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-methoxypropane;N-methylethenamine;1-nitropropane
SMILESC=CNC.CCCOC.CCC[N+](=O)[O-]
InChIInChI=1S/C4H10O.C3H7NO2.C3H7N/c1-3-4-5-2;1-2-3-4(5)6;1-3-4-2/h3-4H2,1-2H3;2-3H2,1H3;3-4H,1H2,2H3
InChIKeyMHFYULULOKMXCL-UHFFFAOYSA-N
XLogP2.07
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;N-methylethenamine;1-nitropropane?
The IUPAC name of 1-methoxypropane;N-methylethenamine;1-nitropropane (CID 144612260) is 1-methoxypropane;N-methylethenamine;1-nitropropane.
What is the SMILES notation for 1-methoxypropane;N-methylethenamine;1-nitropropane?
The canonical SMILES for 1-methoxypropane;N-methylethenamine;1-nitropropane is C=CNC.CCCOC.CCC[N+](=O)[O-].
What is the InChIKey of 1-methoxypropane;N-methylethenamine;1-nitropropane?
The InChIKey is MHFYULULOKMXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H7NO2.C3H7N/c1-3-4-5-2;1-2-3-4(5)6;1-3-4-2/h3-4H2,1-2H3;2-3H2,1H3;3-4H,1H2,2H3.
What are the key properties of 1-methoxypropane;N-methylethenamine;1-nitropropane?
1-methoxypropane;N-methylethenamine;1-nitropropane has a molecular weight of 220.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;N-methylethenamine;1-nitropropane is sourced from PubChem (CID 144612260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).