N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C14H26N2S — CID 43201220

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C14H26N2S/c1-6-16(7-2)9-8-15-12(4)14-10-11(3)17-13(14)5/h10,12,15H,6-9H2,1-5H3
InChIKeyPIQMBHCXNVEBMI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.36
Rot. Bonds7

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 43201220) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID43201220
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C14H26N2S/c1-6-16(7-2)9-8-15-12(4)14-10-11(3)17-13(14)5/h10,12,15H,6-9H2,1-5H3
InChIKeyPIQMBHCXNVEBMI-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-(Pyrrolidin-1-yl)-2-(thiophen-3-yl)ethan-1-amine
CID 16787050
2-Thiophen-2-yl-piperazine
CID 2771726
(2-Amino-1-(thiophen-3-yl)ethyl)dimethylamine
CID 16795633

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 43201220) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is PIQMBHCXNVEBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-16(7-2)9-8-15-12(4)14-10-11(3)17-13(14)5/h10,12,15H,6-9H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43201220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).