N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine

C16H29NOS — CID 80627742

IUPACN-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1CCCS1
InChIInChI=1S/C16H29NOS/c1-2-17-15(14-6-5-11-19-14)13-7-10-18-16(12-13)8-3-4-9-16/h13-15,17H,2-12H2,1H3
InChIKeyGUJCPQVJOBJKCQ-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.60
Rot. Bonds4

About N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine

N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine (PubChem CID 80627742) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
PubChem CID80627742
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1CCCS1
InChIInChI=1S/C16H29NOS/c1-2-17-15(14-6-5-11-19-14)13-7-10-18-16(12-13)8-3-4-9-16/h13-15,17H,2-12H2,1H3
InChIKeyGUJCPQVJOBJKCQ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-oxaspiro[4.5]decan-9-yl(thian-2-yl)methyl]ethanamine
CID 80626187
N-[1,4-dithian-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 79966614
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
[1-oxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]hydrazine
CID 105255583
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79909764
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192

Frequently Asked Questions

What is the IUPAC name of N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine (CID 80627742) is N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine is CCNC(C1CCOC2(CCCC2)C1)C1CCCS1.
What is the InChIKey of N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine?
The InChIKey is GUJCPQVJOBJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-2-17-15(14-6-5-11-19-14)13-7-10-18-16(12-13)8-3-4-9-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine?
N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine has a molecular weight of 283.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80627742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).