N-hexyl-N-phenylthiophen-3-amine

C16H21NS — CID 118311453

IUPACN-hexyl-N-phenylthiophen-3-amine
SMILESCCCCCCN(c1ccccc1)c1ccsc1
InChIInChI=1S/C16H21NS/c1-2-3-4-8-12-17(16-11-13-18-14-16)15-9-6-5-7-10-15/h5-7,9-11,13-14H,2-4,8,12H2,1H3
InChIKeyRNAAAEXDBRJTML-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.47
Rot. Bonds7

About N-hexyl-N-phenylthiophen-3-amine

N-hexyl-N-phenylthiophen-3-amine (PubChem CID 118311453) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-hexyl-N-phenylthiophen-3-amine.

Molecular Properties

Compound NameN-hexyl-N-phenylthiophen-3-amine
PubChem CID118311453
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-hexyl-N-phenylthiophen-3-amine
SMILESCCCCCCN(c1ccccc1)c1ccsc1
InChIInChI=1S/C16H21NS/c1-2-3-4-8-12-17(16-11-13-18-14-16)15-9-6-5-7-10-15/h5-7,9-11,13-14H,2-4,8,12H2,1H3
InChIKeyRNAAAEXDBRJTML-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,N-dibutylthiophen-3-amine
CID 138975972
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CID 54015540
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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-phenylthiophen-3-amine?
The IUPAC name of N-hexyl-N-phenylthiophen-3-amine (CID 118311453) is N-hexyl-N-phenylthiophen-3-amine.
What is the SMILES notation for N-hexyl-N-phenylthiophen-3-amine?
The canonical SMILES for N-hexyl-N-phenylthiophen-3-amine is CCCCCCN(c1ccccc1)c1ccsc1.
What is the InChIKey of N-hexyl-N-phenylthiophen-3-amine?
The InChIKey is RNAAAEXDBRJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-3-4-8-12-17(16-11-13-18-14-16)15-9-6-5-7-10-15/h5-7,9-11,13-14H,2-4,8,12H2,1H3.
What are the key properties of N-hexyl-N-phenylthiophen-3-amine?
N-hexyl-N-phenylthiophen-3-amine has a molecular weight of 259.42 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-phenylthiophen-3-amine is sourced from PubChem (CID 118311453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).