N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

C11H24N2OS — CID 107132835

IUPACN-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-14-6-5-13(2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeyKTCGGHLXYBMIQL-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds7

About N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132835) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132835
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-14-6-5-13(2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeyKTCGGHLXYBMIQL-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132835) is N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is CCOCCN(C)C(CN)C1CCSC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is KTCGGHLXYBMIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-14-6-5-13(2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).