5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine

C12H25N3O — CID 79509860

IUPAC5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)CC(C)(C)OC
InChIInChI=1S/C12H25N3O/c1-6-7-15-10(13)14-9-12(15,4)8-11(2,3)16-5/h6-9H2,1-5H3,(H2,13,14)
InChIKeyNXADOGIDYKSEHK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds5

About 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine

5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine (PubChem CID 79509860) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine
PubChem CID79509860
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)CC(C)(C)OC
InChIInChI=1S/C12H25N3O/c1-6-7-15-10(13)14-9-12(15,4)8-11(2,3)16-5/h6-9H2,1-5H3,(H2,13,14)
InChIKeyNXADOGIDYKSEHK-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine (CID 79509860) is 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine is CCCN1C(N)=NCC1(C)CC(C)(C)OC.
What is the InChIKey of 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine?
The InChIKey is NXADOGIDYKSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-7-15-10(13)14-9-12(15,4)8-11(2,3)16-5/h6-9H2,1-5H3,(H2,13,14).
What are the key properties of 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine?
5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine has a molecular weight of 227.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropyl)-5-methyl-1-propyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).