2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

C8H15N3 — CID 66830765

IUPAC2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESC=CCC1=NCC(CCN)N1
InChIInChI=1S/C8H15N3/c1-2-3-8-10-6-7(11-8)4-5-9/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyVVDUKOZIRBGWEJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds4

About 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (PubChem CID 66830765) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
PubChem CID66830765
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESC=CCC1=NCC(CCN)N1
InChIInChI=1S/C8H15N3/c1-2-3-8-10-6-7(11-8)4-5-9/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyVVDUKOZIRBGWEJ-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (CID 66830765) is 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is C=CCC1=NCC(CCN)N1.
What is the InChIKey of 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The InChIKey is VVDUKOZIRBGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-8-10-6-7(11-8)4-5-9/h2,7H,1,3-6,9H2,(H,10,11).
What are the key properties of 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 66830765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).