N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine

C14H26N2S — CID 80727866

IUPACN-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
SMILESCCNCc1cc(CN(CC)C(C)C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-6-15-9-14-8-13(12(5)17-14)10-16(7-2)11(3)4/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyFJHOFOLTWTWNBR-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine

N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine (PubChem CID 80727866) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
PubChem CID80727866
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
SMILESCCNCc1cc(CN(CC)C(C)C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-6-15-9-14-8-13(12(5)17-14)10-16(7-2)11(3)4/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyFJHOFOLTWTWNBR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine (CID 80727866) is N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine is CCNCc1cc(CN(CC)C(C)C)c(C)s1.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine?
The InChIKey is FJHOFOLTWTWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-15-9-14-8-13(12(5)17-14)10-16(7-2)11(3)4/h8,11,15H,6-7,9-10H2,1-5H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine?
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 80727866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).