(3R,4R)-1,3,4-trimethylpyrrolidine

C7H15N — CID 58622802

IUPAC(3R,4R)-1,3,4-trimethylpyrrolidine
SMILESC[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C7H15N/c1-6-4-8(3)5-7(6)2/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeySIBLCLDNTGUERI-BQBZGAKWSA-N
MW113.20 g/mol
LogP1.20
Rot. Bonds

About (3R,4R)-1,3,4-trimethylpyrrolidine

(3R,4R)-1,3,4-trimethylpyrrolidine (PubChem CID 58622802) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3R,4R)-1,3,4-trimethylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1,3,4-trimethylpyrrolidine
PubChem CID58622802
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3R,4R)-1,3,4-trimethylpyrrolidine
SMILESC[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C7H15N/c1-6-4-8(3)5-7(6)2/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeySIBLCLDNTGUERI-BQBZGAKWSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3,4-trimethylpyrrolidine?
The IUPAC name of (3R,4R)-1,3,4-trimethylpyrrolidine (CID 58622802) is (3R,4R)-1,3,4-trimethylpyrrolidine.
What is the SMILES notation for (3R,4R)-1,3,4-trimethylpyrrolidine?
The canonical SMILES for (3R,4R)-1,3,4-trimethylpyrrolidine is C[C@H]1CN(C)C[C@@H]1C.
What is the InChIKey of (3R,4R)-1,3,4-trimethylpyrrolidine?
The InChIKey is SIBLCLDNTGUERI-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15N/c1-6-4-8(3)5-7(6)2/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (3R,4R)-1,3,4-trimethylpyrrolidine?
(3R,4R)-1,3,4-trimethylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3,4-trimethylpyrrolidine is sourced from PubChem (CID 58622802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).