[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium

C11H24N2O2+2 — CID 154612003

IUPAC[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium
SMILESC=C(C)C(=O)OC(C[NH+](C)C)C[NH+](C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)11(14)15-10(7-12(3)4)8-13(5)6/h10H,1,7-8H2,2-6H3/p+2
InChIKeyAUBDFVCIDMEAKS-UHFFFAOYSA-P
MW216.32 g/mol
LogP-2.24
Rot. Bonds6

About [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium

[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium (PubChem CID 154612003) has the molecular formula C11H24N2O2+2 and a molecular weight of 216.32 g/mol. Its IUPAC name is [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium
PubChem CID154612003
Molecular FormulaC11H24N2O2+2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium
SMILESC=C(C)C(=O)OC(C[NH+](C)C)C[NH+](C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)11(14)15-10(7-12(3)4)8-13(5)6/h10H,1,7-8H2,2-6H3/p+2
InChIKeyAUBDFVCIDMEAKS-UHFFFAOYSA-P
XLogP-2.24
TPSA35.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
CID 54055275

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium?
The IUPAC name of [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium (CID 154612003) is [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium.
What is the SMILES notation for [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium?
The canonical SMILES for [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium is C=C(C)C(=O)OC(C[NH+](C)C)C[NH+](C)C.
What is the InChIKey of [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium?
The InChIKey is AUBDFVCIDMEAKS-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)11(14)15-10(7-12(3)4)8-13(5)6/h10H,1,7-8H2,2-6H3/p+2.
What are the key properties of [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium?
[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium has a molecular weight of 216.32 g/mol, XLogP of -2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium is sourced from PubChem (CID 154612003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).