ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine

C13H29NOS — CID 176568579

IUPACethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
SMILESCC.CCN(CCSC)CC1(COC)CC1
InChIInChI=1S/C11H23NOS.C2H6/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyJUGYONAIOAKHSY-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.12
Rot. Bonds8

About ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine

ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine (PubChem CID 176568579) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
PubChem CID176568579
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Nameethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
SMILESCC.CCN(CCSC)CC1(COC)CC1
InChIInChI=1S/C11H23NOS.C2H6/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyJUGYONAIOAKHSY-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The IUPAC name of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine (CID 176568579) is ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The canonical SMILES for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine is CC.CCN(CCSC)CC1(COC)CC1.
What is the InChIKey of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The InChIKey is JUGYONAIOAKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS.C2H6/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2;1-2/h4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine has a molecular weight of 247.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 176568579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).