1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

C13H23N3O2 — CID 105050021

IUPAC1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)C1COCCO1
InChIInChI=1S/C13H23N3O2/c1-3-14-11(12-10-17-8-9-18-12)4-5-13-15-6-7-16(13)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyDHUADMYQBHECDI-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.75
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105050021) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105050021
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)C1COCCO1
InChIInChI=1S/C13H23N3O2/c1-3-14-11(12-10-17-8-9-18-12)4-5-13-15-6-7-16(13)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyDHUADMYQBHECDI-UHFFFAOYSA-N
XLogP0.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
N-methyl-3-(1-methylimidazol-2-yl)-1-(4-propylmorpholin-2-yl)propan-1-amine
CID 114530511
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352785
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105050021) is 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is CCNC(CCc1nccn1C)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is DHUADMYQBHECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-14-11(12-10-17-8-9-18-12)4-5-13-15-6-7-16(13)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105050021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).