ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium

C17H35N2O+ — CID 3684857

IUPACethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
SMILESC=CCCCCCCCCC(=O)NCC[N+](C)(C)CC
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-13-14-17(20)18-15-16-19(3,4)6-2/h5H,1,6-16H2,2-4H3/p+1
InChIKeyGAZPEVCOAARCCQ-UHFFFAOYSA-O
MW283.48 g/mol
LogP3.51
Rot. Bonds13

About ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium

ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium (PubChem CID 3684857) has the molecular formula C17H35N2O+ and a molecular weight of 283.48 g/mol. Its IUPAC name is ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
PubChem CID3684857
Molecular FormulaC17H35N2O+
Molecular Weight283.48 g/mol
Exact Mass283.27
IUPAC Nameethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
SMILESC=CCCCCCCCCC(=O)NCC[N+](C)(C)CC
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-13-14-17(20)18-15-16-19(3,4)6-2/h5H,1,6-16H2,2-4H3/p+1
InChIKeyGAZPEVCOAARCCQ-UHFFFAOYSA-O
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium?
The IUPAC name of ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium (CID 3684857) is ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium?
The canonical SMILES for ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium is C=CCCCCCCCCC(=O)NCC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium?
The InChIKey is GAZPEVCOAARCCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-13-14-17(20)18-15-16-19(3,4)6-2/h5H,1,6-16H2,2-4H3/p+1.
What are the key properties of ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium?
ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium has a molecular weight of 283.48 g/mol, XLogP of 3.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium is sourced from PubChem (CID 3684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).