dimethyl-bis(1-prop-2-enoxyethyl)azanium

C12H24NO2+ — CID 87092032

IUPACdimethyl-bis(1-prop-2-enoxyethyl)azanium
SMILESC=CCOC(C)[N+](C)(C)C(C)OCC=C
InChIInChI=1S/C12H24NO2/c1-7-9-14-11(3)13(5,6)12(4)15-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3/q+1
InChIKeyVLRSCMVQWVBMJF-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.16
Rot. Bonds8

About dimethyl-bis(1-prop-2-enoxyethyl)azanium

dimethyl-bis(1-prop-2-enoxyethyl)azanium (PubChem CID 87092032) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is dimethyl-bis(1-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-bis(1-prop-2-enoxyethyl)azanium
PubChem CID87092032
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namedimethyl-bis(1-prop-2-enoxyethyl)azanium
SMILESC=CCOC(C)[N+](C)(C)C(C)OCC=C
InChIInChI=1S/C12H24NO2/c1-7-9-14-11(3)13(5,6)12(4)15-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3/q+1
InChIKeyVLRSCMVQWVBMJF-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
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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Related Compounds

hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
3-prop-2-enoxybutanal
CID 12509754
1-hydroxy-1-prop-2-enoxypropane-2-sulfonic acid
CID 91002893
Diisopropyl(allyloxy) silane
CID 6329357
3-prop-2-enoxybutane-1,2-diol
CID 14859753
CID 58877383
CID 58877383
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
3-[fluoro(methoxy)methoxy]prop-1-ene
CID 174814514

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(1-prop-2-enoxyethyl)azanium?
The IUPAC name of dimethyl-bis(1-prop-2-enoxyethyl)azanium (CID 87092032) is dimethyl-bis(1-prop-2-enoxyethyl)azanium.
What is the SMILES notation for dimethyl-bis(1-prop-2-enoxyethyl)azanium?
The canonical SMILES for dimethyl-bis(1-prop-2-enoxyethyl)azanium is C=CCOC(C)[N+](C)(C)C(C)OCC=C.
What is the InChIKey of dimethyl-bis(1-prop-2-enoxyethyl)azanium?
The InChIKey is VLRSCMVQWVBMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-7-9-14-11(3)13(5,6)12(4)15-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3/q+1.
What are the key properties of dimethyl-bis(1-prop-2-enoxyethyl)azanium?
dimethyl-bis(1-prop-2-enoxyethyl)azanium has a molecular weight of 214.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(1-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 87092032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).