1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C14H26N2S — CID 63983745

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H26N2S/c1-7-14(4,5)16(6)13(9-15)12-8-10(2)17-11(12)3/h8,13H,7,9,15H2,1-6H3
InChIKeyHGYUFRCLNSPMNU-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63983745) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63983745
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H26N2S/c1-7-14(4,5)16(6)13(9-15)12-8-10(2)17-11(12)3/h8,13H,7,9,15H2,1-6H3
InChIKeyHGYUFRCLNSPMNU-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63983745) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is HGYUFRCLNSPMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-7-14(4,5)16(6)13(9-15)12-8-10(2)17-11(12)3/h8,13H,7,9,15H2,1-6H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63983745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).