2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

C15H29NO2S — CID 79915212

IUPAC2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCCOC(C)C(NC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO2S/c1-4-17-12(2)14(16-3)13-5-8-18-15(11-13)6-9-19-10-7-15/h12-14,16H,4-11H2,1-3H3
InChIKeyNFYOTJUGHITHFT-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.69
Rot. Bonds5

About 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 79915212) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID79915212
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCCOC(C)C(NC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO2S/c1-4-17-12(2)14(16-3)13-5-8-18-15(11-13)6-9-19-10-7-15/h12-14,16H,4-11H2,1-3H3
InChIKeyNFYOTJUGHITHFT-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716712
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822
N-ethyl-2,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105018116
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 116725429
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (CID 79915212) is 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is CCOC(C)C(NC)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is NFYOTJUGHITHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-17-12(2)14(16-3)13-5-8-18-15(11-13)6-9-19-10-7-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 79915212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).