2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol

C13H21NOS — CID 65392570

IUPAC2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESNCC1(CCc2ccsc2)CCCCC1O
InChIInChI=1S/C13H21NOS/c14-10-13(6-2-1-3-12(13)15)7-4-11-5-8-16-9-11/h5,8-9,12,15H,1-4,6-7,10,14H2
InChIKeyRZDDQPSLJJVZBT-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.56
Rot. Bonds4

About 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol

2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol (PubChem CID 65392570) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
PubChem CID65392570
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESNCC1(CCc2ccsc2)CCCCC1O
InChIInChI=1S/C13H21NOS/c14-10-13(6-2-1-3-12(13)15)7-4-11-5-8-16-9-11/h5,8-9,12,15H,1-4,6-7,10,14H2
InChIKeyRZDDQPSLJJVZBT-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol (CID 65392570) is 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol is NCC1(CCc2ccsc2)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The InChIKey is RZDDQPSLJJVZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c14-10-13(6-2-1-3-12(13)15)7-4-11-5-8-16-9-11/h5,8-9,12,15H,1-4,6-7,10,14H2.
What are the key properties of 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 65392570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).