1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium

C12H22N3+ — CID 67764290

IUPAC1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium
SMILESC1=CNC1.C=CCC1=[N+](C)CCN1CC
InChIInChI=1S/C9H17N2.C3H5N/c1-4-6-9-10(3)7-8-11(9)5-2;1-2-4-3-1/h4H,1,5-8H2,2-3H3;1-2,4H,3H2/q+1;
InChIKeyIIOUDDMWHFRVCY-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.04
Rot. Bonds3

About 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium

1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium (PubChem CID 67764290) has the molecular formula C12H22N3+ and a molecular weight of 208.33 g/mol. Its IUPAC name is 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium
PubChem CID67764290
Molecular FormulaC12H22N3+
Molecular Weight208.33 g/mol
Exact Mass208.18
IUPAC Name1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium
SMILESC1=CNC1.C=CCC1=[N+](C)CCN1CC
InChIInChI=1S/C9H17N2.C3H5N/c1-4-6-9-10(3)7-8-11(9)5-2;1-2-4-3-1/h4H,1,5-8H2,2-3H3;1-2,4H,3H2/q+1;
InChIKeyIIOUDDMWHFRVCY-UHFFFAOYSA-N
XLogP1.04
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
2-Ethyl-1-prop-2-enyl-4,5-dihydroimidazol-4-amine
CID 66830767
N-[1-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176355
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
3-(2-Prop-2-enyl-4,5-dihydroimidazol-1-yl)prop-1-en-1-amine
CID 67239727
2-(2-Prop-2-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 67399217
3-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 67683242
N-[2-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 67842573
N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
N-[2-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69191892
N-[1-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
CID 69634169
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
CID 70599547

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium (CID 67764290) is 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium is C1=CNC1.C=CCC1=[N+](C)CCN1CC.
What is the InChIKey of 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium?
The InChIKey is IIOUDDMWHFRVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.C3H5N/c1-4-6-9-10(3)7-8-11(9)5-2;1-2-4-3-1/h4H,1,5-8H2,2-3H3;1-2,4H,3H2/q+1;.
What are the key properties of 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium?
1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium has a molecular weight of 208.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 67764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).