2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine

C8H16N3+ — CID 66830766

IUPAC2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
SMILESC=CC[N+]1(CCN)C=NCC1
InChIInChI=1S/C8H16N3/c1-2-5-11(6-3-9)7-4-10-8-11/h2,8H,1,3-7,9H2/q+1
InChIKeyOWOOZIBOUOGYOS-UHFFFAOYSA-N
MW154.24 g/mol
LogP-0.01
Rot. Bonds4

About 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine

2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine (PubChem CID 66830766) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
PubChem CID66830766
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
SMILESC=CC[N+]1(CCN)C=NCC1
InChIInChI=1S/C8H16N3/c1-2-5-11(6-3-9)7-4-10-8-11/h2,8H,1,3-7,9H2/q+1
InChIKeyOWOOZIBOUOGYOS-UHFFFAOYSA-N
XLogP-0.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The IUPAC name of 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine (CID 66830766) is 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine.
What is the SMILES notation for 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The canonical SMILES for 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine is C=CC[N+]1(CCN)C=NCC1.
What is the InChIKey of 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The InChIKey is OWOOZIBOUOGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-2-5-11(6-3-9)7-4-10-8-11/h2,8H,1,3-7,9H2/q+1.
What are the key properties of 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine has a molecular weight of 154.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine is sourced from PubChem (CID 66830766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).