N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine

C17H33NO2S — CID 103028627

IUPACN-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H33NO2S/c1-5-18-15(13-16(2,3)19-4)14-6-9-20-17(12-14)7-10-21-11-8-17/h14-15,18H,5-13H2,1-4H3
InChIKeyOUYOYGOMYIVVNR-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.47
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 103028627) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID103028627
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H33NO2S/c1-5-18-15(13-16(2,3)19-4)14-6-9-20-17(12-14)7-10-21-11-8-17/h14-15,18H,5-13H2,1-4H3
InChIKeyOUYOYGOMYIVVNR-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine (CID 103028627) is N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine is CCNC(CC(C)(C)OC)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is OUYOYGOMYIVVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-5-18-15(13-16(2,3)19-4)14-6-9-20-17(12-14)7-10-21-11-8-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 315.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 103028627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).