4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine

C12H23N3O — CID 105167779

IUPAC4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(N)CCOCC
InChIInChI=1S/C12H23N3O/c1-3-7-15-8-6-14-12(15)10-11(13)5-9-16-4-2/h6,8,11H,3-5,7,9-10,13H2,1-2H3
InChIKeyQMGCOQHBZZZIKT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.59
Rot. Bonds8

About 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine

4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 105167779) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID105167779
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(N)CCOCC
InChIInChI=1S/C12H23N3O/c1-3-7-15-8-6-14-12(15)10-11(13)5-9-16-4-2/h6,8,11H,3-5,7,9-10,13H2,1-2H3
InChIKeyQMGCOQHBZZZIKT-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine (CID 105167779) is 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine is CCCn1ccnc1CC(N)CCOCC.
What is the InChIKey of 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is QMGCOQHBZZZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-7-15-8-6-14-12(15)10-11(13)5-9-16-4-2/h6,8,11H,3-5,7,9-10,13H2,1-2H3.
What are the key properties of 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105167779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).