N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine

C16H25NOS — CID 79895449

IUPACN-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(NC1CCOC2(CCCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS/c1-2-14(15-6-5-11-19-15)17-13-7-10-18-16(12-13)8-3-4-9-16/h5-6,11,13-14,17H,2-4,7-10,12H2,1H3
InChIKeyYBDJIGTUAJJUJO-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.28
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine

N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895449) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895449
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(NC1CCOC2(CCCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS/c1-2-14(15-6-5-11-19-15)17-13-7-10-18-16(12-13)8-3-4-9-16/h5-6,11,13-14,17H,2-4,7-10,12H2,1H3
InChIKeyYBDJIGTUAJJUJO-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895590
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895882
N-(1-thiophen-2-ylbutyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895810
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759
N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 80526769
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine (CID 79895449) is N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine is CCC(NC1CCOC2(CCCC2)C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is YBDJIGTUAJJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-14(15-6-5-11-19-15)17-13-7-10-18-16(12-13)8-3-4-9-16/h5-6,11,13-14,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine?
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 279.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).