2-(2-methoxyethoxy)propan-1-amine

C6H15NO2 — CID 22594781

IUPAC2-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOC(C)CN
InChIInChI=1S/C6H15NO2/c1-6(5-7)9-4-3-8-2/h6H,3-5,7H2,1-2H3
InChIKeyMSXWVURKPWKQKJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.00
Rot. Bonds5

About 2-(2-methoxyethoxy)propan-1-amine

2-(2-methoxyethoxy)propan-1-amine (PubChem CID 22594781) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)propan-1-amine
PubChem CID22594781
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOC(C)CN
InChIInChI=1S/C6H15NO2/c1-6(5-7)9-4-3-8-2/h6H,3-5,7H2,1-2H3
InChIKeyMSXWVURKPWKQKJ-UHFFFAOYSA-N
XLogP-0.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyethoxy)propan-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)propan-1-amine (CID 22594781) is 2-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)propan-1-amine is COCCOC(C)CN.
What is the InChIKey of 2-(2-methoxyethoxy)propan-1-amine?
The InChIKey is MSXWVURKPWKQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(5-7)9-4-3-8-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)propan-1-amine?
2-(2-methoxyethoxy)propan-1-amine has a molecular weight of 133.19 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 22594781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).