1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine

C16H25NO2S — CID 104705919

IUPAC1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOC1(CNC(c2cccs2)C2CCCC2)CCOC1
InChIInChI=1S/C16H25NO2S/c1-18-16(8-9-19-12-16)11-17-15(13-5-2-3-6-13)14-7-4-10-20-14/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyDOISNMRCNVIOEJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 104705919) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID104705919
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOC1(CNC(c2cccs2)C2CCCC2)CCOC1
InChIInChI=1S/C16H25NO2S/c1-18-16(8-9-19-12-16)11-17-15(13-5-2-3-6-13)14-7-4-10-20-14/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyDOISNMRCNVIOEJ-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103911347
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 104705919) is 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine is COC1(CNC(c2cccs2)C2CCCC2)CCOC1.
What is the InChIKey of 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DOISNMRCNVIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-18-16(8-9-19-12-16)11-17-15(13-5-2-3-6-13)14-7-4-10-20-14/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 295.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 104705919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).