(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine

C7H16N2O — CID 89161776

IUPAC(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine
SMILESCN[C@@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C7H16N2O/c1-8-6-4-9(2)5-7(6)10-3/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyUNHGITCMPIPVCA-RNFRBKRXSA-N
MW144.22 g/mol
LogP-0.47
Rot. Bonds2

About (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine

(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine (PubChem CID 89161776) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine
PubChem CID89161776
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine
SMILESCN[C@@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C7H16N2O/c1-8-6-4-9(2)5-7(6)10-3/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyUNHGITCMPIPVCA-RNFRBKRXSA-N
XLogP-0.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.47
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-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine (CID 89161776) is (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine is CN[C@@H]1CN(C)C[C@H]1OC.
What is the InChIKey of (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is UNHGITCMPIPVCA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-6-4-9(2)5-7(6)10-3/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine?
(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 89161776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).