N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine

C11H19NS — CID 114979794

IUPACN-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
SMILESCCNC(CC)c1sccc1CC
InChIInChI=1S/C11H19NS/c1-4-9-7-8-13-11(9)10(5-2)12-6-3/h7-8,10,12H,4-6H2,1-3H3
InChIKeyBLEHKSWHKVBSGL-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.37
Rot. Bonds5

About N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine

N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine (PubChem CID 114979794) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
PubChem CID114979794
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
SMILESCCNC(CC)c1sccc1CC
InChIInChI=1S/C11H19NS/c1-4-9-7-8-13-11(9)10(5-2)12-6-3/h7-8,10,12H,4-6H2,1-3H3
InChIKeyBLEHKSWHKVBSGL-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 106867922
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999726
N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029901
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104994601
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003199
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455
2-(dichloromethyl)-3-ethylthiophene
CID 14685355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine (CID 114979794) is N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine is CCNC(CC)c1sccc1CC.
What is the InChIKey of N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine?
The InChIKey is BLEHKSWHKVBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-9-7-8-13-11(9)10(5-2)12-6-3/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine?
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 114979794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).