[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium

C15H30N2O2+2 — CID 3030820

IUPAC[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOC(=O)CC[N+](C)(C)CC=C
InChIInChI=1S/C15H30N2O2/c1-7-10-16(3,4)12-9-15(18)19-14-13-17(5,6)11-8-2/h7-8H,1-2,9-14H2,3-6H3/q+2
InChIKeyLCJCTSPBCKANPA-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.44
Rot. Bonds10

About [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium

[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium (PubChem CID 3030820) has the molecular formula C15H30N2O2+2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium
PubChem CID3030820
Molecular FormulaC15H30N2O2+2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOC(=O)CC[N+](C)(C)CC=C
InChIInChI=1S/C15H30N2O2/c1-7-10-16(3,4)12-9-15(18)19-14-13-17(5,6)11-8-2/h7-8H,1-2,9-14H2,3-6H3/q+2
InChIKeyLCJCTSPBCKANPA-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium?
The IUPAC name of [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium (CID 3030820) is [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium.
What is the SMILES notation for [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium?
The canonical SMILES for [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCOC(=O)CC[N+](C)(C)CC=C.
What is the InChIKey of [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium?
The InChIKey is LCJCTSPBCKANPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-10-16(3,4)12-9-15(18)19-14-13-17(5,6)11-8-2/h7-8H,1-2,9-14H2,3-6H3/q+2.
What are the key properties of [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium?
[3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium has a molecular weight of 270.42 g/mol, XLogP of 1.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[dimethyl(prop-2-enyl)azaniumyl]ethoxy]-3-oxopropyl]-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 3030820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).