[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium

C20H41N2O2+ — CID 97297263

IUPAC[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](C)(C)C[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C20H40N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(23)17-22(4,5)21-20(24)18(2)3/h19,23H,2,6-17H2,1,3-5H3/p+1/t19-/m1/s1
InChIKeyHQJIDJCCPDGJCZ-LJQANCHMSA-O
MW341.56 g/mol
LogP4.34
Rot. Bonds15

About [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium

[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium (PubChem CID 97297263) has the molecular formula C20H41N2O2+ and a molecular weight of 341.56 g/mol. Its IUPAC name is [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium
PubChem CID97297263
Molecular FormulaC20H41N2O2+
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC Name[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](C)(C)C[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C20H40N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(23)17-22(4,5)21-20(24)18(2)3/h19,23H,2,6-17H2,1,3-5H3/p+1/t19-/m1/s1
InChIKeyHQJIDJCCPDGJCZ-LJQANCHMSA-O
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
ethyl-(2-hydroxypentadecyl)-dimethylazanium
CID 141451685
2-hydroxytetradecyl-dimethyl-propylazanium
CID 157339013
decyl-(2-hydroxydodecyl)-dimethylazanium
CID 10072473
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
CID 175364016
2-hydroxyhexadecyl-dimethyl-octadecylazanium chloride
CID 175188143
1-(2-hydroxyhydrazinyl)tetradecan-4-ol;bis(2-methylprop-2-enoic acid)
CID 160906456
diethyl-bis(2-hydroxyoctadecyl)azanium
CID 87485122
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium?
The IUPAC name of [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium (CID 97297263) is [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium.
What is the SMILES notation for [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium?
The canonical SMILES for [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium is C=C(C)C(=O)N[N+](C)(C)C[C@H](O)CCCCCCCCCCCC.
What is the InChIKey of [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium?
The InChIKey is HQJIDJCCPDGJCZ-LJQANCHMSA-O. The full InChI is InChI=1S/C20H40N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(23)17-22(4,5)21-20(24)18(2)3/h19,23H,2,6-17H2,1,3-5H3/p+1/t19-/m1/s1.
What are the key properties of [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium?
[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium has a molecular weight of 341.56 g/mol, XLogP of 4.34, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium is sourced from PubChem (CID 97297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).