2-(2-methylpropoxy)ethanamine

C6H15NO — CID 18672803

IUPAC2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCN
InChIInChI=1S/C6H15NO/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyZSLFISNFWCDEIC-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-methylpropoxy)ethanamine

2-(2-methylpropoxy)ethanamine (PubChem CID 18672803) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethanamine
PubChem CID18672803
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCN
InChIInChI=1S/C6H15NO/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyZSLFISNFWCDEIC-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.62
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 2-(2-methylpropoxy)ethanamine?
The IUPAC name of 2-(2-methylpropoxy)ethanamine (CID 18672803) is 2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 2-(2-methylpropoxy)ethanamine?
The canonical SMILES for 2-(2-methylpropoxy)ethanamine is CC(C)COCCN.
What is the InChIKey of 2-(2-methylpropoxy)ethanamine?
The InChIKey is ZSLFISNFWCDEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethanamine?
2-(2-methylpropoxy)ethanamine has a molecular weight of 117.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 18672803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).