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

C11H21N — CID 130719606

IUPAC3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CC(C)C(C)C1
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-7-10(3)11(4)8-12/h10-11H,1,5-8H2,2-4H3
InChIKeyHRSMKVBYQDDSDQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds3

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

3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine (PubChem CID 130719606) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
PubChem CID130719606
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CC(C)C(C)C1
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-7-10(3)11(4)8-12/h10-11H,1,5-8H2,2-4H3
InChIKeyHRSMKVBYQDDSDQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-(3-methylbut-3-enyl)azetidin-3-ol
CID 114476551
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 126995396
4-(3-hydroxy-4-methylpyrrolidin-1-yl)butan-2-one
CID 130978450
7-methyl-4-(3-methylbut-3-enyl)-1,4-thiazepane
CID 131065136
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
CID 114473405
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485
3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol
CID 114476556
1-(4-methylpent-4-enyl)aziridine
CID 163465690

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine (CID 130719606) is 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine is C=C(C)CCN1CC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
The InChIKey is HRSMKVBYQDDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)5-6-12-7-10(3)11(4)8-12/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine?
3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 130719606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).