1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine

C12H21N3O — CID 106583268

IUPAC1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)(C)OCC
InChIInChI=1S/C12H21N3O/c1-5-7-13-11-14-8-9-15(11)10-12(3,4)16-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,13,14)
InChIKeyNSNGJVXZNHVIMM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds7

About 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine

1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106583268) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106583268
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)(C)OCC
InChIInChI=1S/C12H21N3O/c1-5-7-13-11-14-8-9-15(11)10-12(3,4)16-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,13,14)
InChIKeyNSNGJVXZNHVIMM-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine (CID 106583268) is 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CC(C)(C)OCC.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is NSNGJVXZNHVIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-13-11-14-8-9-15(11)10-12(3,4)16-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,13,14).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).