2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine

C11H21N — CID 126995396

IUPAC2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CC(C)CC1C
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h10-11H,1,5-8H2,2-4H3
InChIKeyAIZUAMLCZCTLPJ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine

2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine (PubChem CID 126995396) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
PubChem CID126995396
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CC(C)CC1C
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h10-11H,1,5-8H2,2-4H3
InChIKeyAIZUAMLCZCTLPJ-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Isopropyl-2-methyl-2,3-butadienyl)pyrrolidine
CID 337533
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
CID 174855048
(2R,4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 178101519
Pyrrolidine, N-(4-methyl-4-pentenyl)-
CID 558395
1-Tert-butyl-3-methyl-4-methylidenepyrrolidine
CID 11412486
1-Cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine
CID 15310477
1-(3-Methyl-2-propan-2-ylbut-1-enyl)pyrrolidine
CID 134854102
(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine
CID 134863651

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine (CID 126995396) is 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine is C=C(C)CCN1CC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The InChIKey is AIZUAMLCZCTLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 126995396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).