1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine

C12H25N3O — CID 79504925

IUPAC1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1CCOC
InChIInChI=1S/C12H25N3O/c1-4-6-12(7-5-2)10-14-11(13)15(12)8-9-16-3/h4-10H2,1-3H3,(H2,13,14)
InChIKeyGQJFGYCWOKHPSI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds7

About 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine

1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine (PubChem CID 79504925) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine
PubChem CID79504925
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1CCOC
InChIInChI=1S/C12H25N3O/c1-4-6-12(7-5-2)10-14-11(13)15(12)8-9-16-3/h4-10H2,1-3H3,(H2,13,14)
InChIKeyGQJFGYCWOKHPSI-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine (CID 79504925) is 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine is CCCC1(CCC)CN=C(N)N1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine?
The InChIKey is GQJFGYCWOKHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-12(7-5-2)10-14-11(13)15(12)8-9-16-3/h4-10H2,1-3H3,(H2,13,14).
What are the key properties of 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine?
1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine has a molecular weight of 227.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).