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

C11H23NOS — CID 176568580

IUPACN-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
SMILESCCN(CCSC)CC1(COC)CC1
InChIInChI=1S/C11H23NOS/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2/h4-10H2,1-3H3
InChIKeyYOABLFMQIWCFKV-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.10
Rot. Bonds8

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

N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine (PubChem CID 176568580) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
PubChem CID176568580
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
SMILESCCN(CCSC)CC1(COC)CC1
InChIInChI=1S/C11H23NOS/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2/h4-10H2,1-3H3
InChIKeyYOABLFMQIWCFKV-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine (CID 176568580) is N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine is CCN(CCSC)CC1(COC)CC1.
What is the InChIKey of N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
The InChIKey is YOABLFMQIWCFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-12(7-8-14-3)9-11(5-6-11)10-13-2/h4-10H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine?
N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine has a molecular weight of 217.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 176568580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).