N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine

C14H25NO2S — CID 80734057

IUPACN-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCCOCCOCc1cc(CNCC)sc1C
InChIInChI=1S/C14H25NO2S/c1-4-6-16-7-8-17-11-13-9-14(10-15-5-2)18-12(13)3/h9,15H,4-8,10-11H2,1-3H3
InChIKeyIAZYKDWZJXMFGX-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.11
Rot. Bonds10

About N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 80734057) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID80734057
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCCOCCOCc1cc(CNCC)sc1C
InChIInChI=1S/C14H25NO2S/c1-4-6-16-7-8-17-11-13-9-14(10-15-5-2)18-12(13)3/h9,15H,4-8,10-11H2,1-3H3
InChIKeyIAZYKDWZJXMFGX-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 80734057) is N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine is CCCOCCOCc1cc(CNCC)sc1C.
What is the InChIKey of N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is IAZYKDWZJXMFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-6-16-7-8-17-11-13-9-14(10-15-5-2)18-12(13)3/h9,15H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80734057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).