2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

C13H24N2S — CID 82945989

IUPAC2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1ccc(C(C)NC(C)CN(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-12-7-8-13(16-12)11(3)14-10(2)9-15(4)5/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyDBVFWNUDSKWGRZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.91
Rot. Bonds6

About 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945989) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945989
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1ccc(C(C)NC(C)CN(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-12-7-8-13(16-12)11(3)14-10(2)9-15(4)5/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyDBVFWNUDSKWGRZ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
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CID 55277214
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
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CID 63431464
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 61334358
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CID 61333360
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CID 65055468
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CID 103902899

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945989) is 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCc1ccc(C(C)NC(C)CN(C)C)s1.
What is the InChIKey of 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is DBVFWNUDSKWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-12-7-8-13(16-12)11(3)14-10(2)9-15(4)5/h7-8,10-11,14H,6,9H2,1-5H3.
What are the key properties of 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).