1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine

C10H19N3O — CID 79744904

IUPAC1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
SMILESCCC(N)(COC)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-4-10(11,8-14-3)7-9-12-5-6-13(9)2/h5-6H,4,7-8,11H2,1-3H3
InChIKeyJNAWBVMEYQGNNW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.72
Rot. Bonds5

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

1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine (PubChem CID 79744904) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
PubChem CID79744904
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
SMILESCCC(N)(COC)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-4-10(11,8-14-3)7-9-12-5-6-13(9)2/h5-6H,4,7-8,11H2,1-3H3
InChIKeyJNAWBVMEYQGNNW-UHFFFAOYSA-N
XLogP0.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
methanamine;1-methyl-2-propylimidazole
CID 164902083
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 114529670
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
CID 106938283
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine (CID 79744904) is 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine is CCC(N)(COC)Cc1nccn1C.
What is the InChIKey of 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The InChIKey is JNAWBVMEYQGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-10(11,8-14-3)7-9-12-5-6-13(9)2/h5-6H,4,7-8,11H2,1-3H3.
What are the key properties of 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 79744904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).