N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine

C13H21NO2S — CID 83182561

IUPACN-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CSCCO1
InChIInChI=1S/C13H21NO2S/c1-2-4-14-12(8-11-3-5-15-9-11)13-10-17-7-6-16-13/h3,5,9,12-14H,2,4,6-8,10H2,1H3
InChIKeyLMKODKCJXYRKDU-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine (PubChem CID 83182561) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
PubChem CID83182561
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CSCCO1
InChIInChI=1S/C13H21NO2S/c1-2-4-14-12(8-11-3-5-15-9-11)13-10-17-7-6-16-13/h3,5,9,12-14H,2,4,6-8,10H2,1H3
InChIKeyLMKODKCJXYRKDU-UHFFFAOYSA-N
XLogP2.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
N-[2-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79962360
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963770
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 103346410
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182750
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine (CID 83182561) is N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)C1CSCCO1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The InChIKey is LMKODKCJXYRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-2-4-14-12(8-11-3-5-15-9-11)13-10-17-7-6-16-13/h3,5,9,12-14H,2,4,6-8,10H2,1H3.
What are the key properties of N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83182561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).