(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine

C14H29NO — CID 170651654

IUPAC(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
SMILESCC(C)(C)CCO[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-10-16-12-7-9-15(11-12)14(4,5)6/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyCKJYHDNEHKLJGI-GFCCVEGCSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds3

About (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine

(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine (PubChem CID 170651654) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
PubChem CID170651654
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
SMILESCC(C)(C)CCO[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-10-16-12-7-9-15(11-12)14(4,5)6/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyCKJYHDNEHKLJGI-GFCCVEGCSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine?
The IUPAC name of (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine (CID 170651654) is (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine.
What is the SMILES notation for (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine?
The canonical SMILES for (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine is CC(C)(C)CCO[C@@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine?
The InChIKey is CKJYHDNEHKLJGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)8-10-16-12-7-9-15(11-12)14(4,5)6/h12H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine?
(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine is sourced from PubChem (CID 170651654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).