4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine

C13H25N3O — CID 57144402

IUPAC4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
SMILESCCOCCn1ccnc1CCCCN(C)C
InChIInChI=1S/C13H25N3O/c1-4-17-12-11-16-10-8-14-13(16)7-5-6-9-15(2)3/h8,10H,4-7,9,11-12H2,1-3H3
InChIKeyBHVNGGHCLRXPOZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.80
Rot. Bonds9

About 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine

4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine (PubChem CID 57144402) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
PubChem CID57144402
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
SMILESCCOCCn1ccnc1CCCCN(C)C
InChIInChI=1S/C13H25N3O/c1-4-17-12-11-16-10-8-14-13(16)7-5-6-9-15(2)3/h8,10H,4-7,9,11-12H2,1-3H3
InChIKeyBHVNGGHCLRXPOZ-UHFFFAOYSA-N
XLogP1.80
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
2-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]ethanol
CID 82559905
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
1,2-di(pentadecyl)imidazole
CID 69388452
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567739
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine (CID 57144402) is 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine is CCOCCn1ccnc1CCCCN(C)C.
What is the InChIKey of 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine?
The InChIKey is BHVNGGHCLRXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-17-12-11-16-10-8-14-13(16)7-5-6-9-15(2)3/h8,10H,4-7,9,11-12H2,1-3H3.
What are the key properties of 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine?
4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 57144402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).