N-methoxy-1-methylpyrrolidin-3-amine

C6H14N2O — CID 82710716

IUPACN-methoxy-1-methylpyrrolidin-3-amine
SMILESCONC1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-8-4-3-6(5-8)7-9-2/h6-7H,3-5H2,1-2H3
InChIKeyGKMBVVATFWGCRH-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.16
Rot. Bonds2

About N-methoxy-1-methylpyrrolidin-3-amine

N-methoxy-1-methylpyrrolidin-3-amine (PubChem CID 82710716) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-methoxy-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methoxy-1-methylpyrrolidin-3-amine
PubChem CID82710716
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-methoxy-1-methylpyrrolidin-3-amine
SMILESCONC1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-8-4-3-6(5-8)7-9-2/h6-7H,3-5H2,1-2H3
InChIKeyGKMBVVATFWGCRH-UHFFFAOYSA-N
XLogP-0.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.16
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 N-methoxy-1-methylpyrrolidin-3-amine?
The IUPAC name of N-methoxy-1-methylpyrrolidin-3-amine (CID 82710716) is N-methoxy-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-methoxy-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-methoxy-1-methylpyrrolidin-3-amine is CONC1CCN(C)C1.
What is the InChIKey of N-methoxy-1-methylpyrrolidin-3-amine?
The InChIKey is GKMBVVATFWGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-4-3-6(5-8)7-9-2/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methoxy-1-methylpyrrolidin-3-amine?
N-methoxy-1-methylpyrrolidin-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82710716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).