3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine

C14H26N2OS — CID 80729188

IUPAC3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cc(COCCCN(C)C)c(C)s1
InChIInChI=1S/C14H26N2OS/c1-5-15-10-14-9-13(12(2)18-14)11-17-8-6-7-16(3)4/h9,15H,5-8,10-11H2,1-4H3
InChIKeyRVOROHYGSCWTRF-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.63
Rot. Bonds9

About 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine

3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine (PubChem CID 80729188) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
PubChem CID80729188
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cc(COCCCN(C)C)c(C)s1
InChIInChI=1S/C14H26N2OS/c1-5-15-10-14-9-13(12(2)18-14)11-17-8-6-7-16(3)4/h9,15H,5-8,10-11H2,1-4H3
InChIKeyRVOROHYGSCWTRF-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.63
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 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine (CID 80729188) is 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine is CCNCc1cc(COCCCN(C)C)c(C)s1.
What is the InChIKey of 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is RVOROHYGSCWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-15-10-14-9-13(12(2)18-14)11-17-8-6-7-16(3)4/h9,15H,5-8,10-11H2,1-4H3.
What are the key properties of 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 80729188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).