5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine

C14H24N2 — CID 171384716

IUPAC5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine
SMILESCC1NC(=CC2=NCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C14H24N2/c1-10-14(4,5)8-12(16-10)6-11-7-13(2,3)9-15-11/h6,10,16H,7-9H2,1-5H3
InChIKeyZOMMAUHKJDQYJB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.15
Rot. Bonds1

About 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine

5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine (PubChem CID 171384716) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine.

Molecular Properties

Compound Name5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine
PubChem CID171384716
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine
SMILESCC1NC(=CC2=NCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C14H24N2/c1-10-14(4,5)8-12(16-10)6-11-7-13(2,3)9-15-11/h6,10,16H,7-9H2,1-5H3
InChIKeyZOMMAUHKJDQYJB-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
5-(4,5-Dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidine-2-thione
CID 5375878
1,3,3-Trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
CID 59941725
2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylmethylidene)pyrrolidine
CID 60077816
2-(Pyrrolidin-2-ylidenemethyl)-1-Pyrroline
CID 60077817
5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
CID 68988836
(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole
CID 89220335
ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
CID 144740190
(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine
CID 170606240
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)piperidin-1-ium
CID 2307152
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylcyclohex-2-en-1-ylidene)pyrrolidin-1-ium
CID 2308083
1-[3-(Aziridin-1-ium-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]pyrrolidin-1-ium
CID 2314670

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine?
The IUPAC name of 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine (CID 171384716) is 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine.
What is the SMILES notation for 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine?
The canonical SMILES for 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine is CC1NC(=CC2=NCC(C)(C)C2)CC1(C)C.
What is the InChIKey of 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine?
The InChIKey is ZOMMAUHKJDQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-14(4,5)8-12(16-10)6-11-7-13(2,3)9-15-11/h6,10,16H,7-9H2,1-5H3.
What are the key properties of 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine?
5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine has a molecular weight of 220.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethyl-2,4-dihydropyrrol-5-yl)methylidene]-2,3,3-trimethylpyrrolidine is sourced from PubChem (CID 171384716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).