2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine

C12H23N3O — CID 114708434

IUPAC2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)(C)COC
InChIInChI=1S/C12H23N3O/c1-11(2,8-16-6)15-9-14-7-10(15)12(3,4)13-5/h7,9,13H,8H2,1-6H3
InChIKeyWOAWMEABGWFCOX-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.72
Rot. Bonds5

About 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708434) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708434
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)(C)COC
InChIInChI=1S/C12H23N3O/c1-11(2,8-16-6)15-9-14-7-10(15)12(3,4)13-5/h7,9,13H,8H2,1-6H3
InChIKeyWOAWMEABGWFCOX-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708261
N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708450
2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707924
1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707351
N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
CID 114708466
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
N-methyl-2-[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]propan-2-amine
CID 114708459

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114708434) is 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C(C)(C)COC.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is WOAWMEABGWFCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2,8-16-6)15-9-14-7-10(15)12(3,4)13-5/h7,9,13H,8H2,1-6H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).