N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine

C13H21NOS — CID 114534386

IUPACN-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccsc2)CCOC1C
InChIInChI=1S/C13H21NOS/c1-3-14-10-13(5-6-15-11(13)2)8-12-4-7-16-9-12/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3
InChIKeyDCDIPPCZXFAUOK-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds5

About N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine

N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 114534386) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID114534386
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccsc2)CCOC1C
InChIInChI=1S/C13H21NOS/c1-3-14-10-13(5-6-15-11(13)2)8-12-4-7-16-9-12/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3
InChIKeyDCDIPPCZXFAUOK-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534393
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114933904
N-[[3-[(2,6-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534364
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 114534386) is N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2ccsc2)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is DCDIPPCZXFAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-14-10-13(5-6-15-11(13)2)8-12-4-7-16-9-12/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 114534386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).