1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine

C10H21NS — CID 106797629

IUPAC1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine
SMILESCCSCCC1(C(C)NC)CC1
InChIInChI=1S/C10H21NS/c1-4-12-8-7-10(5-6-10)9(2)11-3/h9,11H,4-8H2,1-3H3
InChIKeyWYTLKVXJDVEQKD-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds6

About 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine

1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine (PubChem CID 106797629) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine
PubChem CID106797629
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine
SMILESCCSCCC1(C(C)NC)CC1
InChIInChI=1S/C10H21NS/c1-4-12-8-7-10(5-6-10)9(2)11-3/h9,11H,4-8H2,1-3H3
InChIKeyWYTLKVXJDVEQKD-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine (CID 106797629) is 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine is CCSCCC1(C(C)NC)CC1.
What is the InChIKey of 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine?
The InChIKey is WYTLKVXJDVEQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-12-8-7-10(5-6-10)9(2)11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine?
1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 106797629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).