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

C10H18N2S — CID 62344671

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
SMILESCCNC(CN)c1ccc(CC)s1
InChIInChI=1S/C10H18N2S/c1-3-8-5-6-10(13-8)9(7-11)12-4-2/h5-6,9,12H,3-4,7,11H2,1-2H3
InChIKeyLQNISDIDLQLHOR-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.92
Rot. Bonds5

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

N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 62344671) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
PubChem CID62344671
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
SMILESCCNC(CN)c1ccc(CC)s1
InChIInChI=1S/C10H18N2S/c1-3-8-5-6-10(13-8)9(7-11)12-4-2/h5-6,9,12H,3-4,7,11H2,1-2H3
InChIKeyLQNISDIDLQLHOR-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
CID 105000886
3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
CID 103207287
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051139
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine (CID 62344671) is N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine is CCNC(CN)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is LQNISDIDLQLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-8-5-6-10(13-8)9(7-11)12-4-2/h5-6,9,12H,3-4,7,11H2,1-2H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 198.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62344671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).