3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C12H23N3O — CID 105149514

IUPAC3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC)c1nccn1C
InChIInChI=1S/C12H23N3O/c1-4-7-13-11(6-10-16-5-2)12-14-8-9-15(12)3/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyRDUPMNDMXISRNK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.89
Rot. Bonds8

About 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 105149514) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID105149514
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC)c1nccn1C
InChIInChI=1S/C12H23N3O/c1-4-7-13-11(6-10-16-5-2)12-14-8-9-15(12)3/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyRDUPMNDMXISRNK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475947
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 105149514) is 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCOCC)c1nccn1C.
What is the InChIKey of 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is RDUPMNDMXISRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-7-13-11(6-10-16-5-2)12-14-8-9-15(12)3/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105149514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).