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

C13H23N3OS — CID 79962860

IUPACN-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1CSCCO1
InChIInChI=1S/C13H23N3OS/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-18-9-8-17-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyOKVRIUZFOJMUJA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.08
Rot. Bonds6

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

N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 79962860) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID79962860
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1CSCCO1
InChIInChI=1S/C13H23N3OS/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-18-9-8-17-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyOKVRIUZFOJMUJA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79965935
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
CID 79963194
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 79962439
[(4-propan-2-ylmorpholin-2-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105248109
N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79963660
N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
CID 102651946
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761

Frequently Asked Questions

What is the IUPAC name of N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine (CID 79962860) is N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)C1CSCCO1.
What is the InChIKey of N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is OKVRIUZFOJMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-18-9-8-17-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79962860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).