3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine

C9H17N3O — CID 105149670

IUPAC3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCOCCC(N)c1nccn1C
InChIInChI=1S/C9H17N3O/c1-3-13-7-4-8(10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyUQSACQPOBADLHX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.85
Rot. Bonds5

About 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine

3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105149670) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105149670
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCOCCC(N)c1nccn1C
InChIInChI=1S/C9H17N3O/c1-3-13-7-4-8(10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyUQSACQPOBADLHX-UHFFFAOYSA-N
XLogP0.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.85
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

3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
CID 172745142
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
CID 104807136
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215332
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
[3-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105308547
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine (CID 105149670) is 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine is CCOCCC(N)c1nccn1C.
What is the InChIKey of 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is UQSACQPOBADLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-13-7-4-8(10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3.
What are the key properties of 3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine?
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.85, 5 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)propan-1-amine is sourced from PubChem (CID 105149670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).