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

C11H21N — CID 126995395

IUPAC2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CC(C)CC1C
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h5,10-11H,6-8H2,1-4H3
InChIKeyPUARONFPXNHWPR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

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

2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine (PubChem CID 126995395) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
PubChem CID126995395
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CC(C)CC1C
InChIInChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h5,10-11H,6-8H2,1-4H3
InChIKeyPUARONFPXNHWPR-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
CID 130634349
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 126995396
(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide
CID 95292502
N-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 106191056
3-ethyl-7-methyl-1-(3-methylbut-2-enyl)-1,4-diazepane
CID 107901957
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161396
[2,5-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-yl] 3-phenylpropanoate
CID 24843006
1-[1-(3-methylbut-2-enyl)aziridin-2-yl]ethanone
CID 86034685
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
2,3,5-trimethyl-1-prop-2-enylpiperidine
CID 130659291
1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine
CID 115685959

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine?
The IUPAC name of 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine (CID 126995395) is 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine?
The canonical SMILES for 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine is CC(C)=CCN1CC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine?
The InChIKey is PUARONFPXNHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)5-6-12-8-10(3)7-11(12)4/h5,10-11H,6-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine?
2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 2 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-2-enyl)pyrrolidine is sourced from PubChem (CID 126995395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).