1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

C14H27N3O — CID 105149787

IUPAC1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1nccn1CC
InChIInChI=1S/C14H27N3O/c1-5-7-15-13(10-12(3)11-18-4)14-16-8-9-17(14)6-2/h8-9,12-13,15H,5-7,10-11H2,1-4H3
InChIKeyHHSYQFKZCRESPL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.62
Rot. Bonds9

About 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105149787) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105149787
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1nccn1CC
InChIInChI=1S/C14H27N3O/c1-5-7-15-13(10-12(3)11-18-4)14-16-8-9-17(14)6-2/h8-9,12-13,15H,5-7,10-11H2,1-4H3
InChIKeyHHSYQFKZCRESPL-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
CID 105148962
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
[1-(1-ethylimidazol-2-yl)-3-methylpentyl]hydrazine
CID 105308499
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105149787) is 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is HHSYQFKZCRESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-7-15-13(10-12(3)11-18-4)14-16-8-9-17(14)6-2/h8-9,12-13,15H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105149787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).