N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine

C12H23N3O — CID 79751583

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
SMILESCCNC(CCOC)Cc1nccn1CC
InChIInChI=1S/C12H23N3O/c1-4-13-11(6-9-16-3)10-12-14-7-8-15(12)5-2/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyLNOXLEJJDFRJQB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.46
Rot. Bonds8

About N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine (PubChem CID 79751583) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
PubChem CID79751583
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
SMILESCCNC(CCOC)Cc1nccn1CC
InChIInChI=1S/C12H23N3O/c1-4-13-11(6-9-16-3)10-12-14-7-8-15(12)5-2/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyLNOXLEJJDFRJQB-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine (CID 79751583) is N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine is CCNC(CCOC)Cc1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine?
The InChIKey is LNOXLEJJDFRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-13-11(6-9-16-3)10-12-14-7-8-15(12)5-2/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.46, 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)-4-methoxybutan-2-amine is sourced from PubChem (CID 79751583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).