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

C16H25NOS — CID 104509696

IUPACN-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCc2ccsc2)CCOC1C1CC1
InChIInChI=1S/C16H25NOS/c1-2-17-12-16(7-5-13-6-10-19-11-13)8-9-18-15(16)14-3-4-14/h6,10-11,14-15,17H,2-5,7-9,12H2,1H3
InChIKeyWRWGEPCMGNIHBA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.48
Rot. Bonds7

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

N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 104509696) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID104509696
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCc2ccsc2)CCOC1C1CC1
InChIInChI=1S/C16H25NOS/c1-2-17-12-16(7-5-13-6-10-19-11-13)8-9-18-15(16)14-3-4-14/h6,10-11,14-15,17H,2-5,7-9,12H2,1H3
InChIKeyWRWGEPCMGNIHBA-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534386
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509765
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509851
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine (CID 104509696) is N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CCc2ccsc2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is WRWGEPCMGNIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-17-12-16(7-5-13-6-10-19-11-13)8-9-18-15(16)14-3-4-14/h6,10-11,14-15,17H,2-5,7-9,12H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104509696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).