1-thiophen-2-ylcyclohexan-1-amine;hydrochloride

C10H16ClNS — CID 45259890

IUPAC1-thiophen-2-ylcyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccs2)CCCCC1
InChIInChI=1S/C10H15NS.ClH/c11-10(6-2-1-3-7-10)9-5-4-8-12-9;/h4-5,8H,1-3,6-7,11H2;1H
InChIKeyQWLHKUHLLJCAFY-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.29
Rot. Bonds1

About 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride

1-thiophen-2-ylcyclohexan-1-amine;hydrochloride (PubChem CID 45259890) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-thiophen-2-ylcyclohexan-1-amine;hydrochloride
PubChem CID45259890
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name1-thiophen-2-ylcyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccs2)CCCCC1
InChIInChI=1S/C10H15NS.ClH/c11-10(6-2-1-3-7-10)9-5-4-8-12-9;/h4-5,8H,1-3,6-7,11H2;1H
InChIKeyQWLHKUHLLJCAFY-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride (CID 45259890) is 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride is Cl.NC1(c2cccs2)CCCCC1.
What is the InChIKey of 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride?
The InChIKey is QWLHKUHLLJCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.ClH/c11-10(6-2-1-3-7-10)9-5-4-8-12-9;/h4-5,8H,1-3,6-7,11H2;1H.
What are the key properties of 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride?
1-thiophen-2-ylcyclohexan-1-amine;hydrochloride has a molecular weight of 217.76 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).