N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine

C13H25N3O — CID 116715779

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
SMILESCCNC(Cc1nccn1CC)C(CC)OC
InChIInChI=1S/C13H25N3O/c1-5-12(17-4)11(14-6-2)10-13-15-8-9-16(13)7-3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyYNXBMCIOPYKDAT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.85
Rot. Bonds8

About N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine (PubChem CID 116715779) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
PubChem CID116715779
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
SMILESCCNC(Cc1nccn1CC)C(CC)OC
InChIInChI=1S/C13H25N3O/c1-5-12(17-4)11(14-6-2)10-13-15-8-9-16(13)7-3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyYNXBMCIOPYKDAT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
CID 116715785
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009226
[3-ethyl-1-(1-ethylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105321751
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine (CID 116715779) is N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine is CCNC(Cc1nccn1CC)C(CC)OC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?
The InChIKey is YNXBMCIOPYKDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-12(17-4)11(14-6-2)10-13-15-8-9-16(13)7-3/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).