(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine

C8H18N2O — CID 122696200

IUPAC(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
SMILESCCN[C@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C8H18N2O/c1-4-9-7-5-10(2)6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyACQTVGSONQGATC-JGVFFNPUSA-N
MW158.24 g/mol
LogP-0.08
Rot. Bonds3

About (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine

(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine (PubChem CID 122696200) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
PubChem CID122696200
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
SMILESCCN[C@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C8H18N2O/c1-4-9-7-5-10(2)6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyACQTVGSONQGATC-JGVFFNPUSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine (CID 122696200) is (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine is CCN[C@H]1CN(C)C[C@H]1OC.
What is the InChIKey of (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine?
The InChIKey is ACQTVGSONQGATC-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-9-7-5-10(2)6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine?
(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 122696200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).