N-butyl-3-cyclohexylthiophen-2-amine

C14H23NS — CID 70576136

IUPACN-butyl-3-cyclohexylthiophen-2-amine
SMILESCCCCNc1sccc1C1CCCCC1
InChIInChI=1S/C14H23NS/c1-2-3-10-15-14-13(9-11-16-14)12-7-5-4-6-8-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyGAGAPSHLCUKOFW-UHFFFAOYSA-N
MW237.41 g/mol
LogP5.01
Rot. Bonds5

About N-butyl-3-cyclohexylthiophen-2-amine

N-butyl-3-cyclohexylthiophen-2-amine (PubChem CID 70576136) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-butyl-3-cyclohexylthiophen-2-amine.

Molecular Properties

Compound NameN-butyl-3-cyclohexylthiophen-2-amine
PubChem CID70576136
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-butyl-3-cyclohexylthiophen-2-amine
SMILESCCCCNc1sccc1C1CCCCC1
InChIInChI=1S/C14H23NS/c1-2-3-10-15-14-13(9-11-16-14)12-7-5-4-6-8-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyGAGAPSHLCUKOFW-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.41
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclohexylthiophen-2-amine?
The IUPAC name of N-butyl-3-cyclohexylthiophen-2-amine (CID 70576136) is N-butyl-3-cyclohexylthiophen-2-amine.
What is the SMILES notation for N-butyl-3-cyclohexylthiophen-2-amine?
The canonical SMILES for N-butyl-3-cyclohexylthiophen-2-amine is CCCCNc1sccc1C1CCCCC1.
What is the InChIKey of N-butyl-3-cyclohexylthiophen-2-amine?
The InChIKey is GAGAPSHLCUKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-3-10-15-14-13(9-11-16-14)12-7-5-4-6-8-12/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of N-butyl-3-cyclohexylthiophen-2-amine?
N-butyl-3-cyclohexylthiophen-2-amine has a molecular weight of 237.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclohexylthiophen-2-amine is sourced from PubChem (CID 70576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).