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

C13H25N3O — CID 114707351

IUPAC1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOCC(C)(C)n1cncc1C(N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)6-11(14)12-7-15-9-16(12)13(3,4)8-17-5/h7,9-11H,6,8,14H2,1-5H3
InChIKeyKVAXVUQNBKUNER-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.31
Rot. Bonds6

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

1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114707351) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114707351
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOCC(C)(C)n1cncc1C(N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)6-11(14)12-7-15-9-16(12)13(3,4)8-17-5/h7,9-11H,6,8,14H2,1-5H3
InChIKeyKVAXVUQNBKUNER-UHFFFAOYSA-N
XLogP2.31
TPSA53.07 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
CID 114704124
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708434
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114707206
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
CID 114707394

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114707351) is 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine is COCC(C)(C)n1cncc1C(N)CC(C)C.
What is the InChIKey of 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is KVAXVUQNBKUNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)6-11(14)12-7-15-9-16(12)13(3,4)8-17-5/h7,9-11H,6,8,14H2,1-5H3.
What are the key properties of 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114707351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).