4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

C14H25NOS — CID 64665679

IUPAC4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCc1ccc(CCC(C)CNCCOC)s1
InChIInChI=1S/C14H25NOS/c1-4-13-7-8-14(17-13)6-5-12(2)11-15-9-10-16-3/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyQIEYYDWGVILIKM-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.12
Rot. Bonds9

About 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 64665679) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID64665679
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCc1ccc(CCC(C)CNCCOC)s1
InChIInChI=1S/C14H25NOS/c1-4-13-7-8-14(17-13)6-5-12(2)11-15-9-10-16-3/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyQIEYYDWGVILIKM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.12
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-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303592
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591664
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 64665679) is 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is CCc1ccc(CCC(C)CNCCOC)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is QIEYYDWGVILIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-4-13-7-8-14(17-13)6-5-12(2)11-15-9-10-16-3/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64665679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).