N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

C13H23N3OS — CID 79963843

IUPACN-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CSCCO1
InChIInChI=1S/C13H23N3OS/c1-3-5-16-6-4-15-13(16)9-11(14-2)12-10-18-8-7-17-12/h4,6,11-12,14H,3,5,7-10H2,1-2H3
InChIKeyHLGOCAZNRFONAF-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.56
Rot. Bonds6

About N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79963843) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79963843
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CSCCO1
InChIInChI=1S/C13H23N3OS/c1-3-5-16-6-4-15-13(16)9-11(14-2)12-10-18-8-7-17-12/h4,6,11-12,14H,3,5,7-10H2,1-2H3
InChIKeyHLGOCAZNRFONAF-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (CID 79963843) is N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)C1CSCCO1.
What is the InChIKey of N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is HLGOCAZNRFONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-16-6-4-15-13(16)9-11(14-2)12-10-18-8-7-17-12/h4,6,11-12,14H,3,5,7-10H2,1-2H3.
What are the key properties of N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79963843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).