4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine

C13H25N3O — CID 114530777

IUPAC4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
SMILESCCC(CC)(OC)C(N)CCc1nccn1C
InChIInChI=1S/C13H25N3O/c1-5-13(6-2,17-4)11(14)7-8-12-15-9-10-16(12)3/h9-11H,5-8,14H2,1-4H3
InChIKeyPJIJSTBCMADJCS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds7

About 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine

4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine (PubChem CID 114530777) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine.

Molecular Properties

Compound Name4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
PubChem CID114530777
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
SMILESCCC(CC)(OC)C(N)CCc1nccn1C
InChIInChI=1S/C13H25N3O/c1-5-13(6-2,17-4)11(14)7-8-12-15-9-10-16(12)3/h9-11H,5-8,14H2,1-4H3
InChIKeyPJIJSTBCMADJCS-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
CID 114530442
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79762264
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine?
The IUPAC name of 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine (CID 114530777) is 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine.
What is the SMILES notation for 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine?
The canonical SMILES for 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine is CCC(CC)(OC)C(N)CCc1nccn1C.
What is the InChIKey of 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine?
The InChIKey is PJIJSTBCMADJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13(6-2,17-4)11(14)7-8-12-15-9-10-16(12)3/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine?
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine is sourced from PubChem (CID 114530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).