1-cyclopropyl-N-methoxyethanamine

C6H13NO — CID 82710579

IUPAC1-cyclopropyl-N-methoxyethanamine
SMILESCONC(C)C1CC1
InChIInChI=1S/C6H13NO/c1-5(7-8-2)6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyINPFWTFHKMSBLY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.94
Rot. Bonds3

About 1-cyclopropyl-N-methoxyethanamine

1-cyclopropyl-N-methoxyethanamine (PubChem CID 82710579) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-cyclopropyl-N-methoxyethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methoxyethanamine
PubChem CID82710579
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-cyclopropyl-N-methoxyethanamine
SMILESCONC(C)C1CC1
InChIInChI=1S/C6H13NO/c1-5(7-8-2)6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyINPFWTFHKMSBLY-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methoxyethanamine?
The IUPAC name of 1-cyclopropyl-N-methoxyethanamine (CID 82710579) is 1-cyclopropyl-N-methoxyethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methoxyethanamine?
The canonical SMILES for 1-cyclopropyl-N-methoxyethanamine is CONC(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methoxyethanamine?
The InChIKey is INPFWTFHKMSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7-8-2)6-3-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methoxyethanamine?
1-cyclopropyl-N-methoxyethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methoxyethanamine is sourced from PubChem (CID 82710579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).