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

C12H26N2OS — CID 107132749

IUPACN-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)C1CCSC1
InChIInChI=1S/C12H26N2OS/c1-3-14(6-7-15-4-2)12(9-13)11-5-8-16-10-11/h11-12H,3-10,13H2,1-2H3
InChIKeyQYFJPVKQPQJXJV-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.43
Rot. Bonds8

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

N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132749) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132749
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)C1CCSC1
InChIInChI=1S/C12H26N2OS/c1-3-14(6-7-15-4-2)12(9-13)11-5-8-16-10-11/h11-12H,3-10,13H2,1-2H3
InChIKeyQYFJPVKQPQJXJV-UHFFFAOYSA-N
XLogP1.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.43
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-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132749) is N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine is CCOCCN(CC)C(CN)C1CCSC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is QYFJPVKQPQJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-3-14(6-7-15-4-2)12(9-13)11-5-8-16-10-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 246.42 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).