(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine

C12H25NO — CID 99994645

IUPAC(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
SMILESCCCC[C@@H]1C[C@H](OCC(C)C)CN1
InChIInChI=1S/C12H25NO/c1-4-5-6-11-7-12(8-13-11)14-9-10(2)3/h10-13H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyODOYSLIYVYKESC-NEPJUHHUSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine

(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine (PubChem CID 99994645) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
PubChem CID99994645
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
SMILESCCCC[C@@H]1C[C@H](OCC(C)C)CN1
InChIInChI=1S/C12H25NO/c1-4-5-6-11-7-12(8-13-11)14-9-10(2)3/h10-13H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyODOYSLIYVYKESC-NEPJUHHUSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
4-butoxy-2-propylpyrrolidine
CID 102568603
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
CID 99994354
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
6-pentylpiperidine-3,4-diol
CID 122657014
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine?
The IUPAC name of (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine (CID 99994645) is (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine.
What is the SMILES notation for (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine?
The canonical SMILES for (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine is CCCC[C@@H]1C[C@H](OCC(C)C)CN1.
What is the InChIKey of (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine?
The InChIKey is ODOYSLIYVYKESC-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-11-7-12(8-13-11)14-9-10(2)3/h10-13H,4-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine?
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine is sourced from PubChem (CID 99994645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).