N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine

C14H27N3O — CID 105187670

IUPACN-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
SMILESCCNC(CCc1nccn1C)CCC(C)OC
InChIInChI=1S/C14H27N3O/c1-5-15-13(7-6-12(2)18-4)8-9-14-16-10-11-17(14)3/h10-13,15H,5-9H2,1-4H3
InChIKeyMGKGTYKWEXKJMD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds9

About N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine

N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine (PubChem CID 105187670) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
PubChem CID105187670
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
SMILESCCNC(CCc1nccn1C)CCC(C)OC
InChIInChI=1S/C14H27N3O/c1-5-15-13(7-6-12(2)18-4)8-9-14-16-10-11-17(14)3/h10-13,15H,5-9H2,1-4H3
InChIKeyMGKGTYKWEXKJMD-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine (CID 105187670) is N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine is CCNC(CCc1nccn1C)CCC(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine?
The InChIKey is MGKGTYKWEXKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-15-13(7-6-12(2)18-4)8-9-14-16-10-11-17(14)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine?
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine is sourced from PubChem (CID 105187670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).