2-tert-butyl-1-(oxan-4-yl)pyrrolidine

C13H25NO — CID 67953179

IUPAC2-tert-butyl-1-(oxan-4-yl)pyrrolidine
SMILESCC(C)(C)C1CCCN1C1CCOCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12-5-4-8-14(12)11-6-9-15-10-7-11/h11-12H,4-10H2,1-3H3
InChIKeyLOGHTWNFYPJTNP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds1

About 2-tert-butyl-1-(oxan-4-yl)pyrrolidine

2-tert-butyl-1-(oxan-4-yl)pyrrolidine (PubChem CID 67953179) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-(oxan-4-yl)pyrrolidine
PubChem CID67953179
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-tert-butyl-1-(oxan-4-yl)pyrrolidine
SMILESCC(C)(C)C1CCCN1C1CCOCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12-5-4-8-14(12)11-6-9-15-10-7-11/h11-12H,4-10H2,1-3H3
InChIKeyLOGHTWNFYPJTNP-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-(oxan-4-yl)pyrrolidine
CID 130708549
1-(2,2-Dimethyloxan-4-yl)pyrrolidine
CID 13287495
3-Methyl-1-(oxan-4-yl)pyrrolidine
CID 23396971
(2R)-2-ethyl-1-(oxan-4-yl)pyrrolidine
CID 57639784
(3R)-3-methyl-1-(oxan-4-yl)pyrrolidine
CID 57639885
(3S)-3-methyl-1-(oxan-4-yl)pyrrolidine
CID 57639906
(2S)-2-ethyl-1-(oxan-4-yl)pyrrolidine
CID 57640137
(3S)-1-(oxan-4-yl)-3-propylpyrrolidine
CID 57640290
(3R)-1-(oxan-4-yl)-3-propylpyrrolidine
CID 57640291
N-cyclopentyl-N,3-dimethyloxan-4-amine
CID 58654141
3-(Ethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778647
CID 59694694
CID 59694694

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(oxan-4-yl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-(oxan-4-yl)pyrrolidine (CID 67953179) is 2-tert-butyl-1-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-(oxan-4-yl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-(oxan-4-yl)pyrrolidine is CC(C)(C)C1CCCN1C1CCOCC1.
What is the InChIKey of 2-tert-butyl-1-(oxan-4-yl)pyrrolidine?
The InChIKey is LOGHTWNFYPJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12-5-4-8-14(12)11-6-9-15-10-7-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(oxan-4-yl)pyrrolidine?
2-tert-butyl-1-(oxan-4-yl)pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 67953179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).