2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine

C12H23N — CID 89476334

IUPAC2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine
SMILESC=C1NC(C)(C(C)(C)C)CC1(C)C
InChIInChI=1S/C12H23N/c1-9-11(5,6)8-12(7,13-9)10(2,3)4/h13H,1,8H2,2-7H3
InChIKeyXXUIIFSHLIQJEK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds

About 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine

2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine (PubChem CID 89476334) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine
PubChem CID89476334
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine
SMILESC=C1NC(C)(C(C)(C)C)CC1(C)C
InChIInChI=1S/C12H23N/c1-9-11(5,6)8-12(7,13-9)10(2,3)4/h13H,1,8H2,2-7H3
InChIKeyXXUIIFSHLIQJEK-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylidene-3-propan-2-ylpyrrolidine
CID 20745836
2-Tert-butyl-2-methyl-5-methylidenepyrrolidine
CID 58533086
2,2,4,4-Tetramethyl-5-methylidenepyrrolidine
CID 59565973
3,3-Dimethyl-1-methylidene-2-azaspiro[4.4]nonane
CID 59565991
2-Methyl-5-methylidene-2-propan-2-ylpyrrolidine
CID 121369290
N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine
CID 126575397
2-Methylidene-3,3-dipropylpyrrolidine
CID 126661388
N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine
CID 129060446
3-Tert-butyl-2,5-dimethylidenepyrrolidine
CID 129153487
N-but-1-en-2-yl-2,3,3-trimethylpentan-2-amine
CID 132062879
N-tert-butyl-3,3-dimethylhept-1-en-2-amine
CID 132133410
3,4-Diethyl-2,5-dimethylidenepyrrolidine
CID 141779592

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine?
The IUPAC name of 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine (CID 89476334) is 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine.
What is the SMILES notation for 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine?
The canonical SMILES for 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine is C=C1NC(C)(C(C)(C)C)CC1(C)C.
What is the InChIKey of 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine?
The InChIKey is XXUIIFSHLIQJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-11(5,6)8-12(7,13-9)10(2,3)4/h13H,1,8H2,2-7H3.
What are the key properties of 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine?
2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine is sourced from PubChem (CID 89476334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).