(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine

C9H20N2O — CID 122696201

IUPAC(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@@H]1CN(C)C[C@H]1NC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)10-8-5-11(3)6-9(8)12-4/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyDCCLSXUOLYIIJY-RKDXNWHRSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine

(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 122696201) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID122696201
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@@H]1CN(C)C[C@H]1NC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)10-8-5-11(3)6-9(8)12-4/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyDCCLSXUOLYIIJY-RKDXNWHRSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 122696201) is (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine is CO[C@@H]1CN(C)C[C@H]1NC(C)C.
What is the InChIKey of (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is DCCLSXUOLYIIJY-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)10-8-5-11(3)6-9(8)12-4/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 122696201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).