1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine

C13H25N3O2 — CID 79760794

IUPAC1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(N)C(OCC)OCC
InChIInChI=1S/C13H25N3O2/c1-4-8-16-9-7-15-12(16)10-11(14)13(17-5-2)18-6-3/h7,9,11,13H,4-6,8,10,14H2,1-3H3
InChIKeySCFBLTMFHZKBNT-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.56
Rot. Bonds9

About 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine

1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79760794) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79760794
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(N)C(OCC)OCC
InChIInChI=1S/C13H25N3O2/c1-4-8-16-9-7-15-12(16)10-11(14)13(17-5-2)18-6-3/h7,9,11,13H,4-6,8,10,14H2,1-3H3
InChIKeySCFBLTMFHZKBNT-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79760794) is 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(N)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is SCFBLTMFHZKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-8-16-9-7-15-12(16)10-11(14)13(17-5-2)18-6-3/h7,9,11,13H,4-6,8,10,14H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79760794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).