1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine

C8H15N3 — CID 174993742

IUPAC1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCC1CN(CC)C(N)=N1
InChIInChI=1S/C8H15N3/c1-3-5-7-6-11(4-2)8(9)10-7/h3,7H,1,4-6H2,2H3,(H2,9,10)
InChIKeyBLHYRYLEWSEVIN-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.58
Rot. Bonds3

About 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine

1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 174993742) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID174993742
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCC1CN(CC)C(N)=N1
InChIInChI=1S/C8H15N3/c1-3-5-7-6-11(4-2)8(9)10-7/h3,7H,1,4-6H2,2H3,(H2,9,10)
InChIKeyBLHYRYLEWSEVIN-UHFFFAOYSA-N
XLogP0.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 174993742) is 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCC1CN(CC)C(N)=N1.
What is the InChIKey of 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is BLHYRYLEWSEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-7-6-11(4-2)8(9)10-7/h3,7H,1,4-6H2,2H3,(H2,9,10).
What are the key properties of 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine?
1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 174993742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).