N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

C17H27NOS — CID 102897512

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCCc1ccsc1CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H27NOS/c1-2-14-7-11-20-16(14)13-18-12-15-6-10-17(19-15)8-4-3-5-9-17/h7,11,15,18H,2-6,8-10,12-13H2,1H3
InChIKeySJQWHJIEWNYNHZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.28
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (PubChem CID 102897512) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
PubChem CID102897512
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCCc1ccsc1CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H27NOS/c1-2-14-7-11-20-16(14)13-18-12-15-6-10-17(19-15)8-4-3-5-9-17/h7,11,15,18H,2-6,8-10,12-13H2,1H3
InChIKeySJQWHJIEWNYNHZ-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 6458264
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
N-{2-[2,2-dimethyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]ethyl}-1-(thiophen-2-yl)ethanamine
CID 3506168
(3-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2967138
3-[(2R,5S)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanenitrile
CID 156602763
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2966636
(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156808
(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 123374453
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine
CID 129158560
2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 129158573
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 129158658
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-[(4-methylthiophen-2-yl)methyl]ethanamine
CID 129158669

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (CID 102897512) is N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is CCc1ccsc1CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The InChIKey is SJQWHJIEWNYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-14-7-11-20-16(14)13-18-12-15-6-10-17(19-15)8-4-3-5-9-17/h7,11,15,18H,2-6,8-10,12-13H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine has a molecular weight of 293.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is sourced from PubChem (CID 102897512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).