dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium

C22H45N2O+ — CID 22770245

IUPACdimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium
SMILESC=CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C22H44N2O/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(25)23-19-17-21-24(3,4)20-6-2/h6H,2,5,7-21H2,1,3-4H3/p+1
InChIKeyKODJQWYPFZCNBW-UHFFFAOYSA-O
MW353.62 g/mol
LogP5.46
Rot. Bonds18

About dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium

dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium (PubChem CID 22770245) has the molecular formula C22H45N2O+ and a molecular weight of 353.62 g/mol. Its IUPAC name is dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium.

Molecular Properties

Compound Namedimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium
PubChem CID22770245
Molecular FormulaC22H45N2O+
Molecular Weight353.62 g/mol
Exact Mass353.35
IUPAC Namedimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium
SMILESC=CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C22H44N2O/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(25)23-19-17-21-24(3,4)20-6-2/h6H,2,5,7-21H2,1,3-4H3/p+1
InChIKeyKODJQWYPFZCNBW-UHFFFAOYSA-O
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
CID 118403102
carboxymethyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium hydroxide
CID 21150963
3-(docosanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
CID 162027110
hexyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
CID 3344491
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
dimethyl-octyl-[2-(undec-10-enoylamino)ethyl]azanium bromide
CID 15007478
dimethyl-octadecyl-[4-oxo-4-[3-(trimethylazaniumyl)propylamino]butyl]azanium
CID 139878279
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458

Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium?
The IUPAC name of dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium (CID 22770245) is dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium.
What is the SMILES notation for dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium?
The canonical SMILES for dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium is C=CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC.
What is the InChIKey of dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium?
The InChIKey is KODJQWYPFZCNBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H44N2O/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(25)23-19-17-21-24(3,4)20-6-2/h6H,2,5,7-21H2,1,3-4H3/p+1.
What are the key properties of dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium?
dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium has a molecular weight of 353.62 g/mol, XLogP of 5.46, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium is sourced from PubChem (CID 22770245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).