dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium

C17H36N3O2+3 — CID 21299608

IUPACdimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium
SMILESCC(C)[N+](C)(CC[N+](C)(C)C(=O)[N+]1(C)CCCC1=O)C(C)C
InChIInChI=1S/C17H36N3O2/c1-14(2)19(7,15(3)4)13-12-18(5,6)17(22)20(8)11-9-10-16(20)21/h14-15H,9-13H2,1-8H3/q+3
InChIKeyGOBJKOGFUYLNRX-UHFFFAOYSA-N
MW314.49 g/mol
LogP2.21
Rot. Bonds5

About dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium

dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium (PubChem CID 21299608) has the molecular formula C17H36N3O2+3 and a molecular weight of 314.49 g/mol. Its IUPAC name is dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium.

Molecular Properties

Compound Namedimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium
PubChem CID21299608
Molecular FormulaC17H36N3O2+3
Molecular Weight314.49 g/mol
Exact Mass314.28
IUPAC Namedimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium
SMILESCC(C)[N+](C)(CC[N+](C)(C)C(=O)[N+]1(C)CCCC1=O)C(C)C
InChIInChI=1S/C17H36N3O2/c1-14(2)19(7,15(3)4)13-12-18(5,6)17(22)20(8)11-9-10-16(20)21/h14-15H,9-13H2,1-8H3/q+3
InChIKeyGOBJKOGFUYLNRX-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium with MolForge

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Related Compounds

Succinimide, N-(4-methyl-1-piperazinylmethyl)-
CID 217171
1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea
CID 100744528
1,3-Dibutyrylimidazolidine
CID 129727013
1,3-Diacetyl-4-methyl-5-ethyl-2-imidazolinone
CID 129810995
1-[[Di(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 10081458
5-Methyl-1,3-di(propan-2-yl)imidazolidine-2,4-dione
CID 12373160
1,3-Dibutyl-5-methylimidazolidine-2,4-dione
CID 12767202
3-Butyl-1,5-dimethylimidazolidine-2,4-dione
CID 12767203
3-Butyl-1-ethyl-5-methylimidazolidine-2,4-dione
CID 12767204
N,N-dibutylbutan-1-amine;1-[1-(dimethylamino)propyl]pyrrolidin-2-one
CID 20043844
1,3-Bis[[methyl(propyl)amino]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 20350487
1-Methyl-3,5-di(propan-2-yl)imidazolidine-2,4-dione
CID 20641830

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium?
The IUPAC name of dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium (CID 21299608) is dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium.
What is the SMILES notation for dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium?
The canonical SMILES for dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium is CC(C)[N+](C)(CC[N+](C)(C)C(=O)[N+]1(C)CCCC1=O)C(C)C.
What is the InChIKey of dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium?
The InChIKey is GOBJKOGFUYLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N3O2/c1-14(2)19(7,15(3)4)13-12-18(5,6)17(22)20(8)11-9-10-16(20)21/h14-15H,9-13H2,1-8H3/q+3.
What are the key properties of dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium?
dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium has a molecular weight of 314.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium is sourced from PubChem (CID 21299608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).