N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C7H17NO — CID 53413892

IUPACN-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNCCOC(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)9-6-5-8-4/h8H,5-6H2,1-4H3
InChIKeyRCESGBQILBSYQG-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 53413892) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID53413892
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNCCOC(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)9-6-5-8-4/h8H,5-6H2,1-4H3
InChIKeyRCESGBQILBSYQG-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 53413892) is N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CNCCOC(C)(C)C.
What is the InChIKey of N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is RCESGBQILBSYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)9-6-5-8-4/h8H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 53413892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).