1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine

C15H27N2+ — CID 59941725

IUPAC1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
SMILESCN1CCC(C)(C)C1=CC1=[N+](C)CCC1(C)C
InChIInChI=1S/C15H27N2/c1-14(2)7-9-16(5)12(14)11-13-15(3,4)8-10-17(13)6/h11H,7-10H2,1-6H3/q+1
InChIKeyWXJWDIBRZQYHKH-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.75
Rot. Bonds1

About 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine

1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine (PubChem CID 59941725) has the molecular formula C15H27N2+ and a molecular weight of 235.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
PubChem CID59941725
Molecular FormulaC15H27N2+
Molecular Weight235.39 g/mol
Exact Mass235.22
IUPAC Name1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
SMILESCN1CCC(C)(C)C1=CC1=[N+](C)CCC1(C)C
InChIInChI=1S/C15H27N2/c1-14(2)7-9-16(5)12(14)11-13-15(3,4)8-10-17(13)6/h11H,7-10H2,1-6H3/q+1
InChIKeyWXJWDIBRZQYHKH-UHFFFAOYSA-N
XLogP2.75
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine iodide
CID 15945020
5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945262
N,N-diethyl-5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945344
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
1-(5,5-Dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)piperidin-1-ium;iodide
CID 2307153
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine;iodide
CID 2308084
(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-dipropyl-amine;iodide
CID 2315545
N,N-diethyl-5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 2315561
1-(5,5-Dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)azepan-1-ium;iodide
CID 2324207
1-[3-(Aziridin-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]pyrrolidin-1-ium iodide
CID 16238412
1,3,3-Trimethyl-2-[3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)prop-2-enylidene]pyrrolidine
CID 59032513
3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine
CID 148748740

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine?
The IUPAC name of 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine (CID 59941725) is 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine.
What is the SMILES notation for 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine?
The canonical SMILES for 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine is CN1CCC(C)(C)C1=CC1=[N+](C)CCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine?
The InChIKey is WXJWDIBRZQYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2/c1-14(2)7-9-16(5)12(14)11-13-15(3,4)8-10-17(13)6/h11H,7-10H2,1-6H3/q+1.
What are the key properties of 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine?
1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine has a molecular weight of 235.39 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine is sourced from PubChem (CID 59941725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).