dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium

C22H44NO2+ — CID 175070696

IUPACdimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H44NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23(5,6)21(4)25-22(24)20(2)3/h21H,2,7-19H2,1,3-6H3/q+1
InChIKeyMIZDGNOGTLANNP-UHFFFAOYSA-N
MW354.60 g/mol
LogP6.23
Rot. Bonds16

About dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium (PubChem CID 175070696) has the molecular formula C22H44NO2+ and a molecular weight of 354.60 g/mol. Its IUPAC name is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium.

Molecular Properties

Compound Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
PubChem CID175070696
Molecular FormulaC22H44NO2+
Molecular Weight354.60 g/mol
Exact Mass354.34
IUPAC Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H44NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23(5,6)21(4)25-22(24)20(2)3/h21H,2,7-19H2,1,3-6H3/q+1
InChIKeyMIZDGNOGTLANNP-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
CID 175573015
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669
dimethyl-(1-octadecanoyloxyethyl)-octadecylazanium
CID 87530867
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 161228448
dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
undecan-5-yl 2-methylprop-2-enoate
CID 87158130

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium?
The IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium (CID 175070696) is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium.
What is the SMILES notation for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium?
The canonical SMILES for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium is C=C(C)C(=O)OC(C)[N+](C)(C)CCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium?
The InChIKey is MIZDGNOGTLANNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23(5,6)21(4)25-22(24)20(2)3/h21H,2,7-19H2,1,3-6H3/q+1.
What are the key properties of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium?
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium has a molecular weight of 354.60 g/mol, XLogP of 6.23, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium is sourced from PubChem (CID 175070696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).