N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine

C13H23NS — CID 79830389

IUPACN-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(CC)s1
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyIGWVPTNLSCKASQ-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine

N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine (PubChem CID 79830389) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine
PubChem CID79830389
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(CC)s1
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyIGWVPTNLSCKASQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859
N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
CID 79830952
N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
2,5-diethylthiophene
CID 521294
4-amino-3-(5-ethylthiophen-2-yl)-3,4-dimethylpentan-1-ol
CID 66089117
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
3-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830959
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
N-ethyl-3-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81021760
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243
(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol
CID 10694148

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine (CID 79830389) is N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine is CCNCCC(C)(C)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine?
The InChIKey is IGWVPTNLSCKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine?
N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 79830389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).