N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C14H26N2O2S — CID 107557366

IUPACN-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1ccc(CN)s1
InChIInChI=1S/C14H26N2O2S/c1-3-17-9-7-16(8-10-18-4-2)12-14-6-5-13(11-15)19-14/h5-6H,3-4,7-12,15H2,1-2H3
InChIKeyGCQBFOVGPLQRSA-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.08
Rot. Bonds11

About N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 107557366) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID107557366
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1ccc(CN)s1
InChIInChI=1S/C14H26N2O2S/c1-3-17-9-7-16(8-10-18-4-2)12-14-6-5-13(11-15)19-14/h5-6H,3-4,7-12,15H2,1-2H3
InChIKeyGCQBFOVGPLQRSA-UHFFFAOYSA-N
XLogP2.08
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953140
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-benzylethanamine
CID 107555749
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
CID 63697554

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 107557366) is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)Cc1ccc(CN)s1.
What is the InChIKey of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is GCQBFOVGPLQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-3-17-9-7-16(8-10-18-4-2)12-14-6-5-13(11-15)19-14/h5-6H,3-4,7-12,15H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 286.44 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 107557366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).