2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium

C10H23N2O+ — CID 167083417

IUPAC2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium
SMILESC=C(C)C(NCC[N+](C)(C)C)OC
InChIInChI=1S/C10H23N2O/c1-9(2)10(13-6)11-7-8-12(3,4)5/h10-11H,1,7-8H2,2-6H3/q+1
InChIKeyAGFIVTZPNKCUCH-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.83
Rot. Bonds6

About 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium

2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium (PubChem CID 167083417) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium
PubChem CID167083417
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Name2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium
SMILESC=C(C)C(NCC[N+](C)(C)C)OC
InChIInChI=1S/C10H23N2O/c1-9(2)10(13-6)11-7-8-12(3,4)5/h10-11H,1,7-8H2,2-6H3/q+1
InChIKeyAGFIVTZPNKCUCH-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium?
The IUPAC name of 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium (CID 167083417) is 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium is C=C(C)C(NCC[N+](C)(C)C)OC.
What is the InChIKey of 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium?
The InChIKey is AGFIVTZPNKCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O/c1-9(2)10(13-6)11-7-8-12(3,4)5/h10-11H,1,7-8H2,2-6H3/q+1.
What are the key properties of 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium?
2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium has a molecular weight of 187.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 167083417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).