(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine

C6H14N2O — CID 11126291

IUPAC(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CNC[C@@H]1OC
InChIInChI=1S/C6H14N2O/c1-7-5-3-8-4-6(5)9-2/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyFHCMZTOUVZUHAP-WDSKDSINSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds2

About (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine

(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine (PubChem CID 11126291) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine
PubChem CID11126291
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CNC[C@@H]1OC
InChIInChI=1S/C6H14N2O/c1-7-5-3-8-4-6(5)9-2/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyFHCMZTOUVZUHAP-WDSKDSINSA-N
XLogP-0.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine (CID 11126291) is (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine is CN[C@H]1CNC[C@@H]1OC.
What is the InChIKey of (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine?
The InChIKey is FHCMZTOUVZUHAP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-5-3-8-4-6(5)9-2/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine?
(3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 11126291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).