4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

C10H19N3O — CID 79751381

IUPAC4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-11-9(4-7-14-3)8-10-12-5-6-13(10)2/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyLTLIUYNNXCISLB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.59
Rot. Bonds6

About 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 79751381) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID79751381
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nccn1C
InChIInChI=1S/C10H19N3O/c1-11-9(4-7-14-3)8-10-12-5-6-13(10)2/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyLTLIUYNNXCISLB-UHFFFAOYSA-N
XLogP0.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
[4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 103025406

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (CID 79751381) is 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is CNC(CCOC)Cc1nccn1C.
What is the InChIKey of 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is LTLIUYNNXCISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-9(4-7-14-3)8-10-12-5-6-13(10)2/h5-6,9,11H,4,7-8H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79751381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).