(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine

C10H21N — CID 166767172

IUPAC(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
SMILESCCC(C)(C)[C@@H]1CCCN1C
InChIInChI=1S/C10H21N/c1-5-10(2,3)9-7-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGXBMMKKBQLYTJL-VIFPVBQESA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds2

About (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine

(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine (PubChem CID 166767172) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
PubChem CID166767172
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
SMILESCCC(C)(C)[C@@H]1CCCN1C
InChIInChI=1S/C10H21N/c1-5-10(2,3)9-7-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGXBMMKKBQLYTJL-VIFPVBQESA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

1-methyl-2-(2-methylpentan-2-yl)piperidine
CID 57185031
2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
CID 89390542
N-methyl-2-(1-methylpyrrolidin-2-yl)propan-2-amine
CID 84650456
3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol
CID 166138354
2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine
CID 155794041
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-(2-methylbutan-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901374
3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
CID 58834330
2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633
2-methyl-2-[(2S)-1-methylpiperidin-2-yl]propanoic acid
CID 66889115
1-benzylsulfonyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 59852632
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine (CID 166767172) is (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine is CCC(C)(C)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine?
The InChIKey is GXBMMKKBQLYTJL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N/c1-5-10(2,3)9-7-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine?
(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine is sourced from PubChem (CID 166767172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).