N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H20F3NS — CID 65246388

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C14H20F3NS/c1-9-7-13(19-10(9)2)8-18-12-5-3-11(4-6-12)14(15,16)17/h7,11-12,18H,3-6,8H2,1-2H3
InChIKeyVZPRUTHSOOBVQL-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.58
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65246388) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65246388
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C14H20F3NS/c1-9-7-13(19-10(9)2)8-18-12-5-3-11(4-6-12)14(15,16)17/h7,11-12,18H,3-6,8H2,1-2H3
InChIKeyVZPRUTHSOOBVQL-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 65246388) is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(CNC2CCC(C(F)(F)F)CC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VZPRUTHSOOBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-9-7-13(19-10(9)2)8-18-12-5-3-11(4-6-12)14(15,16)17/h7,11-12,18H,3-6,8H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65246388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).