2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine

C14H23NS — CID 64774556

IUPAC2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCc2ccsc2)C1C
InChIInChI=1S/C14H23NS/c1-11-4-3-7-14(15,12(11)2)8-5-13-6-9-16-10-13/h6,9-12H,3-5,7-8,15H2,1-2H3
InChIKeySKWJNYPCASDUTE-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.83
Rot. Bonds3

About 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine

2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine (PubChem CID 64774556) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
PubChem CID64774556
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCc2ccsc2)C1C
InChIInChI=1S/C14H23NS/c1-11-4-3-7-14(15,12(11)2)8-5-13-6-9-16-10-13/h6,9-12H,3-5,7-8,15H2,1-2H3
InChIKeySKWJNYPCASDUTE-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine (CID 64774556) is 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine is CC1CCCC(N)(CCc2ccsc2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine?
The InChIKey is SKWJNYPCASDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11-4-3-7-14(15,12(11)2)8-5-13-6-9-16-10-13/h6,9-12H,3-5,7-8,15H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine?
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 64774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).