N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine

C13H23NOS — CID 105166453

IUPACN-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-4-8-15-9-6-12(14-5-2)13-11(3)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyBHEYEMCZZJZMAS-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds8

About N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine

N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine (PubChem CID 105166453) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
PubChem CID105166453
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-4-8-15-9-6-12(14-5-2)13-11(3)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyBHEYEMCZZJZMAS-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
[1-(3-methylthiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210038
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
CID 105153974
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine (CID 105166453) is N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine is CCCOCCC(NCC)c1sccc1C.
What is the InChIKey of N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine?
The InChIKey is BHEYEMCZZJZMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-8-15-9-6-12(14-5-2)13-11(3)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine?
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105166453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).