3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine

C12H23N3O2 — CID 102927817

IUPAC3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)CCOCCOC
InChIInChI=1S/C12H23N3O2/c1-3-6-15-7-5-14-12(15)11(13)4-8-17-10-9-16-2/h5,7,11H,3-4,6,8-10,13H2,1-2H3
InChIKeyTWZUBISYXPBEQP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.35
Rot. Bonds9

About 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine

3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 102927817) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID102927817
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)CCOCCOC
InChIInChI=1S/C12H23N3O2/c1-3-6-15-7-5-14-12(15)11(13)4-8-17-10-9-16-2/h5,7,11H,3-4,6,8-10,13H2,1-2H3
InChIKeyTWZUBISYXPBEQP-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
CID 102927681
3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
CID 105098448
[1-(1-ethylimidazol-2-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929970
[2-methoxy-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105207224
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105148921
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine (CID 102927817) is 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(N)CCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is TWZUBISYXPBEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-6-15-7-5-14-12(15)11(13)4-8-17-10-9-16-2/h5,7,11H,3-4,6,8-10,13H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine?
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 102927817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).