2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine

C13H24N2S — CID 79062272

IUPAC2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(C)s1)N(C)C
InChIInChI=1S/C13H24N2S/c1-6-13(7-2,15(4)5)12(14)11-9-8-10(3)16-11/h8-9,12H,6-7,14H2,1-5H3
InChIKeyXZFSCEKVICHCEJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.18
Rot. Bonds5

About 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine

2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine (PubChem CID 79062272) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
PubChem CID79062272
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(C)s1)N(C)C
InChIInChI=1S/C13H24N2S/c1-6-13(7-2,15(4)5)12(14)11-9-8-10(3)16-11/h8-9,12H,6-7,14H2,1-5H3
InChIKeyXZFSCEKVICHCEJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine (CID 79062272) is 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine is CCC(CC)(C(N)c1ccc(C)s1)N(C)C.
What is the InChIKey of 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The InChIKey is XZFSCEKVICHCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-13(7-2,15(4)5)12(14)11-9-8-10(3)16-11/h8-9,12H,6-7,14H2,1-5H3.
What are the key properties of 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79062272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).