1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine

C13H25N3O — CID 106554321

IUPAC1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)12(5)15-13-14-10(3)7-16(13)11(4)8-17-6/h7,9,11-12H,8H2,1-6H3,(H,14,15)
InChIKeyOEDHNRBIESONPD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.86
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine (PubChem CID 106554321) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
PubChem CID106554321
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)12(5)15-13-14-10(3)7-16(13)11(4)8-17-6/h7,9,11-12H,8H2,1-6H3,(H,14,15)
InChIKeyOEDHNRBIESONPD-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-(1-methoxypropan-2-yl)-4-methyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567416
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564571
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106557746
1-(1-methoxypropan-2-yl)-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568507
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106571299

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine (CID 106554321) is 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine is COCC(C)n1cc(C)nc1NC(C)C(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine?
The InChIKey is OEDHNRBIESONPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)12(5)15-13-14-10(3)7-16(13)11(4)8-17-6/h7,9,11-12H,8H2,1-6H3,(H,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106554321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).