triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium

C11H23N2O+ — CID 176967053

IUPACtriethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium
SMILESC=C(CC(=O)NC)[N+](CC)(CC)CC
InChIInChI=1S/C11H22N2O/c1-6-13(7-2,8-3)10(4)9-11(14)12-5/h4,6-9H2,1-3,5H3/p+1
InChIKeyVSXRQFOSXHCNSM-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.51
Rot. Bonds6

About triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium

triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium (PubChem CID 176967053) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium.

Molecular Properties

Compound Nametriethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium
PubChem CID176967053
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nametriethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium
SMILESC=C(CC(=O)NC)[N+](CC)(CC)CC
InChIInChI=1S/C11H22N2O/c1-6-13(7-2,8-3)10(4)9-11(14)12-5/h4,6-9H2,1-3,5H3/p+1
InChIKeyVSXRQFOSXHCNSM-UHFFFAOYSA-O
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-3-(methylamino)but-3-enamide
CID 143134494
N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
CID 88911258
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-methylpent-3-enamide
CID 89224066
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
CID 89224177
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
CID 90245574
2-methyl-N-[3-[3-(3-methylbut-1-en-2-ylamino)propyl-[3-(2-methylpropanoylamino)propyl]amino]propyl]propanamide
CID 118136023
(E)-4-amino-3-(methylamino)but-3-enamide
CID 118973901
N-(4-aminopent-4-enyl)propanamide
CID 126589543
N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
CID 126701035
N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide
CID 126701045
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium?
The IUPAC name of triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium (CID 176967053) is triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium.
What is the SMILES notation for triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium?
The canonical SMILES for triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium is C=C(CC(=O)NC)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium?
The InChIKey is VSXRQFOSXHCNSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-6-13(7-2,8-3)10(4)9-11(14)12-5/h4,6-9H2,1-3,5H3/p+1.
What are the key properties of triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium?
triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium has a molecular weight of 199.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium is sourced from PubChem (CID 176967053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).