N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

C17H27NOS — CID 102897054

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CCC2(CCCCC2)O1)c1cccs1
InChIInChI=1S/C17H27NOS/c1-2-15(16-7-6-12-20-16)18-13-14-8-11-17(19-14)9-4-3-5-10-17/h6-7,12,14-15,18H,2-5,8-11,13H2,1H3
InChIKeyWWNMHVDIJPUMRC-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.67
Rot. Bonds5

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 102897054) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID102897054
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CCC2(CCCCC2)O1)c1cccs1
InChIInChI=1S/C17H27NOS/c1-2-15(16-7-6-12-20-16)18-13-14-8-11-17(19-14)9-4-3-5-10-17/h6-7,12,14-15,18H,2-5,8-11,13H2,1H3
InChIKeyWWNMHVDIJPUMRC-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75504547
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
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(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
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N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 113261565
N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897512
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
CID 102897622
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 102897054) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CCC(NCC1CCC2(CCCCC2)O1)c1cccs1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is WWNMHVDIJPUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-15(16-7-6-12-20-16)18-13-14-8-11-17(19-14)9-4-3-5-10-17/h6-7,12,14-15,18H,2-5,8-11,13H2,1H3.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 102897054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).