1-cyclopropyl-N-methoxypyrrolidin-3-amine

C8H16N2O — CID 82706402

IUPAC1-cyclopropyl-N-methoxypyrrolidin-3-amine
SMILESCONC1CCN(C2CC2)C1
InChIInChI=1S/C8H16N2O/c1-11-9-7-4-5-10(6-7)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeyOKKPTASGTJEAPF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds3

About 1-cyclopropyl-N-methoxypyrrolidin-3-amine

1-cyclopropyl-N-methoxypyrrolidin-3-amine (PubChem CID 82706402) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-methoxypyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methoxypyrrolidin-3-amine
PubChem CID82706402
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-cyclopropyl-N-methoxypyrrolidin-3-amine
SMILESCONC1CCN(C2CC2)C1
InChIInChI=1S/C8H16N2O/c1-11-9-7-4-5-10(6-7)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeyOKKPTASGTJEAPF-UHFFFAOYSA-N
XLogP0.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxypyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-methoxypyrrolidin-3-amine (CID 82706402) is 1-cyclopropyl-N-methoxypyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-methoxypyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-methoxypyrrolidin-3-amine is CONC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methoxypyrrolidin-3-amine?
The InChIKey is OKKPTASGTJEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-9-7-4-5-10(6-7)8-2-3-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-methoxypyrrolidin-3-amine?
1-cyclopropyl-N-methoxypyrrolidin-3-amine has a molecular weight of 156.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methoxypyrrolidin-3-amine is sourced from PubChem (CID 82706402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).