3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine

C12H21N — CID 59916936

IUPAC3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C(C)CC)C(=C)N1CC
InChIInChI=1S/C12H21N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h9,12H,4-8H2,1-3H3
InChIKeyXBAPCLVDNIGUPV-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.40
Rot. Bonds3

About 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine

3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine (PubChem CID 59916936) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine
PubChem CID59916936
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine
SMILESC=C1CC(C(C)CC)C(=C)N1CC
InChIInChI=1S/C12H21N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h9,12H,4-8H2,1-3H3
InChIKeyXBAPCLVDNIGUPV-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(Tert-butyl)-1-cyclohexen-1-YL]pyrrolidine
CID 107232
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-(4-Methylpent-1-en-2-yl)pyrrolidine
CID 16736184
3-Tert-butyl-1-(3,3-dimethylbut-1-en-2-yl)-4-(fluoromethyl)pyrrolidine
CID 117878250
1-(3,3-Difluoroprop-1-en-2-yl)-3-ethyl-4-propan-2-ylpyrrolidine
CID 117878252
2-[2-(Fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
CID 155418263
1-Fluoro-2-methylidene-3-propan-2-ylpyrrolidine
CID 155445689
1-(5-Fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine
CID 170173863
3-Fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine
CID 174352269
1-[(6R)-6-propan-2-ylcyclohexen-1-yl]pyrrolidine
CID 134863432
Lithium 1-(1-cyclopentylethenyl)pyrrolidine
CID 134993669
1-(6-Ethylcyclohexen-1-yl)pyrrolidine
CID 102116981

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine?
The IUPAC name of 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine (CID 59916936) is 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine?
The canonical SMILES for 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine is C=C1CC(C(C)CC)C(=C)N1CC.
What is the InChIKey of 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine?
The InChIKey is XBAPCLVDNIGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine?
3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 59916936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).