N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine

C15H26N2S — CID 80728608

IUPACN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)CC2CCC2)c(C)s1
InChIInChI=1S/C15H26N2S/c1-4-16-9-15-8-14(12(2)18-15)11-17(3)10-13-6-5-7-13/h8,13,16H,4-7,9-11H2,1-3H3
InChIKeyROVUZZICQKAFOJ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.40
Rot. Bonds7

About N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine

N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 80728608) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
PubChem CID80728608
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)CC2CCC2)c(C)s1
InChIInChI=1S/C15H26N2S/c1-4-16-9-15-8-14(12(2)18-15)11-17(3)10-13-6-5-7-13/h8,13,16H,4-7,9-11H2,1-3H3
InChIKeyROVUZZICQKAFOJ-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
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-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (CID 80728608) is N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)CC2CCC2)c(C)s1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is ROVUZZICQKAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-16-9-15-8-14(12(2)18-15)11-17(3)10-13-6-5-7-13/h8,13,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 266.45 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-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80728608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).