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

C15H29N3O2 — CID 79761416

IUPAC1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(OCC)OCC
InChIInChI=1S/C15H29N3O2/c1-5-10-18-11-9-17-14(18)12-13(16-6-2)15(19-7-3)20-8-4/h9,11,13,15-16H,5-8,10,12H2,1-4H3
InChIKeyLVGRIPCEFTUVJB-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.21
Rot. Bonds11

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

1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79761416) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79761416
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(OCC)OCC
InChIInChI=1S/C15H29N3O2/c1-5-10-18-11-9-17-14(18)12-13(16-6-2)15(19-7-3)20-8-4/h9,11,13,15-16H,5-8,10,12H2,1-4H3
InChIKeyLVGRIPCEFTUVJB-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.21
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-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
CID 105246540
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79761416) is 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(NCC)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is LVGRIPCEFTUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-10-18-11-9-17-14(18)12-13(16-6-2)15(19-7-3)20-8-4/h9,11,13,15-16H,5-8,10,12H2,1-4H3.
What are the key properties of 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79761416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).