4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine

C14H25NS — CID 64504459

IUPAC4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(CCCCNCC(C)C)s1
InChIInChI=1S/C14H25NS/c1-4-13-8-9-14(16-13)7-5-6-10-15-11-12(2)3/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyZTEKYMJTMPRDAR-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.88
Rot. Bonds8

About 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine

4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 64504459) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID64504459
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(CCCCNCC(C)C)s1
InChIInChI=1S/C14H25NS/c1-4-13-8-9-14(16-13)7-5-6-10-15-11-12(2)3/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyZTEKYMJTMPRDAR-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.88
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

N-(2-methylpropyl)-4-(5-methylthiophen-2-yl)butan-1-amine
CID 65305317
2-dodecyl-5-ethylthiophene
CID 528251
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184537
2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine
CID 65305315
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
2,5-diethylthiophene
CID 521294
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 64504459) is 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine is CCc1ccc(CCCCNCC(C)C)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZTEKYMJTMPRDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-13-8-9-14(16-13)7-5-6-10-15-11-12(2)3/h8-9,12,15H,4-7,10-11H2,1-3H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine?
4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64504459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).