3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

C10H19N3O — CID 79762264

IUPAC3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCOC(C)(C)C(N)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-10(2,14-4)8(11)7-9-12-5-6-13(9)3/h5-6,8H,7,11H2,1-4H3
InChIKeyGHAZGVUNQFMVPZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.71
Rot. Bonds4

About 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 79762264) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID79762264
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCOC(C)(C)C(N)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-10(2,14-4)8(11)7-9-12-5-6-13(9)3/h5-6,8H,7,11H2,1-4H3
InChIKeyGHAZGVUNQFMVPZ-UHFFFAOYSA-N
XLogP0.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 103025406
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (CID 79762264) is 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is COC(C)(C)C(N)Cc1nccn1C.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is GHAZGVUNQFMVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,14-4)8(11)7-9-12-5-6-13(9)3/h5-6,8H,7,11H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79762264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).