(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium

C16H29N2O3+ — CID 91322486

IUPAC(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)CC(=O)OCCC=CCC
InChIInChI=1S/C16H28N2O3/c1-5-7-8-9-13-21-16(20)14-18(3,4)12-10-11-17-15(19)6-2/h6-8H,2,5,9-14H2,1,3-4H3/p+1
InChIKeyGCCITNMLZPPMIA-UHFFFAOYSA-O
MW297.42 g/mol
LogP1.65
Rot. Bonds11

About (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium

(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (PubChem CID 91322486) has the molecular formula C16H29N2O3+ and a molecular weight of 297.42 g/mol. Its IUPAC name is (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Name(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
PubChem CID91322486
Molecular FormulaC16H29N2O3+
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)CC(=O)OCCC=CCC
InChIInChI=1S/C16H28N2O3/c1-5-7-8-9-13-21-16(20)14-18(3,4)12-10-11-17-15(19)6-2/h6-8H,2,5,9-14H2,1,3-4H3/p+1
InChIKeyGCCITNMLZPPMIA-UHFFFAOYSA-O
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,7-dimethyloct-6-enoxy)-2-oxoethyl]-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 87991579
(2-hexadecoxy-2-oxoethyl)-dimethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 100914638
dimethyl-[2-oxo-2-(2-phenylethoxy)ethyl]-[3-(prop-2-enoylamino)propyl]azanium
CID 142238013
bis(hex-3-enyl) propanedioate
CID 54313444
bis(ethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium);sulfate
CID 141071800
butyl 4-(prop-2-enoylamino)butanoate
CID 170269473
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
[(E)-hex-3-enyl] 3-oxobutanoate
CID 6365957
hexyl 4-(prop-2-enoylamino)butanoate
CID 170269478
ethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium;trifluoromethanesulfonate
CID 141480561
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
hex-3-enyl dec-9-enoate
CID 139415626

Frequently Asked Questions

What is the IUPAC name of (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The IUPAC name of (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (CID 91322486) is (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.
What is the SMILES notation for (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The canonical SMILES for (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium is C=CC(=O)NCCC[N+](C)(C)CC(=O)OCCC=CCC.
What is the InChIKey of (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The InChIKey is GCCITNMLZPPMIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H28N2O3/c1-5-7-8-9-13-21-16(20)14-18(3,4)12-10-11-17-15(19)6-2/h6-8H,2,5,9-14H2,1,3-4H3/p+1.
What are the key properties of (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
(2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium has a molecular weight of 297.42 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hex-3-enoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 91322486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).