(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine

C9H19NO — CID 169313450

IUPAC(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@]1(C)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)11-9(3)5-6-10(4)7-9/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyGLUBXLVNXMVHCV-VIFPVBQESA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine

(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine (PubChem CID 169313450) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine
PubChem CID169313450
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@]1(C)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)11-9(3)5-6-10(4)7-9/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyGLUBXLVNXMVHCV-VIFPVBQESA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methoxymethane;1,3,3-trimethylpyrrolidine
CID 166534043
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
CID 163257812
methane;1,3,3-trimethylpyrrolidine
CID 158632756
1,4-dimethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364977
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
CID 115029203
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
(1,3-dimethylpiperidin-3-yl) 2,3-dibromopropanoate
CID 162508064
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine?
The IUPAC name of (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine (CID 169313450) is (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine?
The canonical SMILES for (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine is CC(C)O[C@@]1(C)CCN(C)C1.
What is the InChIKey of (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine?
The InChIKey is GLUBXLVNXMVHCV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)11-9(3)5-6-10(4)7-9/h8H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine?
(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 169313450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).