1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine

C10H21N — CID 129260340

IUPAC1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
SMILESC[C@H](N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)11-7-5-6-8-11/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyXGZRVTJWOLIOFZ-VIFPVBQESA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds1

About 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine

1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine (PubChem CID 129260340) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
PubChem CID129260340
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
SMILESC[C@H](N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)11-7-5-6-8-11/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyXGZRVTJWOLIOFZ-VIFPVBQESA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115012199
ethane;1-(3-methylbutan-2-yl)pyrrolidine
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1-propan-2-ylpiperidine;hydrobromide
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2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
1-[(2R)-5,5-dimethylhex-3-yn-2-yl]pyrrolidine
CID 153319014
1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
CID 104830208
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
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CID 177325455

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine?
The IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine (CID 129260340) is 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine is C[C@H](N1CCCC1)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine?
The InChIKey is XGZRVTJWOLIOFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N/c1-9(10(2,3)4)11-7-5-6-8-11/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine?
1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine is sourced from PubChem (CID 129260340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).