1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H20N2OS — CID 62540616

IUPAC1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCCOC)s1
InChIInChI=1S/C11H20N2OS/c1-3-9-4-5-11(15-9)10(8-12)13-6-7-14-2/h4-5,10,13H,3,6-8,12H2,1-2H3
InChIKeySQKMNMZRQZYSFV-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.55
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62540616) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62540616
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCCOC)s1
InChIInChI=1S/C11H20N2OS/c1-3-9-4-5-11(15-9)10(8-12)13-6-7-14-2/h4-5,10,13H,3,6-8,12H2,1-2H3
InChIKeySQKMNMZRQZYSFV-UHFFFAOYSA-N
XLogP1.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986819

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 62540616) is 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is CCc1ccc(C(CN)NCCOC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is SQKMNMZRQZYSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-9-4-5-11(15-9)10(8-12)13-6-7-14-2/h4-5,10,13H,3,6-8,12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62540616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).