4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine

C13H25N3O — CID 105148962

IUPAC4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(CC(C)COC)NC
InChIInChI=1S/C13H25N3O/c1-5-7-16-8-6-15-13(16)12(14-3)9-11(2)10-17-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeySZOMQGFQHBZMEQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

About 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine

4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine (PubChem CID 105148962) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
PubChem CID105148962
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(CC(C)COC)NC
InChIInChI=1S/C13H25N3O/c1-5-7-16-8-6-15-13(16)12(14-3)9-11(2)10-17-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeySZOMQGFQHBZMEQ-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105149787
[2-methoxy-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105207224
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
[3-methoxy-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 105267061
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
[4-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butyl]hydrazine
CID 105308328
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
[3-methoxy-3-methyl-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 103025320
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine (CID 105148962) is 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine is CCCn1ccnc1C(CC(C)COC)NC.
What is the InChIKey of 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine?
The InChIKey is SZOMQGFQHBZMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-16-8-6-15-13(16)12(14-3)9-11(2)10-17-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3.
What are the key properties of 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine?
4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 105148962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).