1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine

C12H21N3O2 — CID 103546972

IUPAC1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nccn1C)CC1OCCO1
InChIInChI=1S/C12H21N3O2/c1-3-13-10(9-12-16-6-7-17-12)8-11-14-4-5-15(11)2/h4-5,10,12-13H,3,6-9H2,1-2H3
InChIKeyWEQBNNRAGGNLNH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine

1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 103546972) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID103546972
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nccn1C)CC1OCCO1
InChIInChI=1S/C12H21N3O2/c1-3-13-10(9-12-16-6-7-17-12)8-11-14-4-5-15(11)2/h4-5,10,12-13H,3,6-9H2,1-2H3
InChIKeyWEQBNNRAGGNLNH-UHFFFAOYSA-N
XLogP0.70
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107004749
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760751
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
CID 103546905
1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050021
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546899
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine (CID 103546972) is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine is CCNC(Cc1nccn1C)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is WEQBNNRAGGNLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-13-10(9-12-16-6-7-17-12)8-11-14-4-5-15(11)2/h4-5,10,12-13H,3,6-9H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 103546972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).