1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H23F3N2S — CID 112658173

IUPAC1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCN(C)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2S/c1-17(6-7-18-2)11(9-16)5-3-4-10(8-11)12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyOBBHXDPDBBANDY-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.73
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 112658173) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID112658173
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCN(C)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2S/c1-17(6-7-18-2)11(9-16)5-3-4-10(8-11)12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyOBBHXDPDBBANDY-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60890978
N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
CID 61212302
1-(aminomethyl)-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61603294
1-(aminomethyl)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61606100
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methyl-N-propylcyclohexan-1-amine
CID 62005269
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007312
1-(aminomethyl)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552503
1-(aminomethyl)-N-ethyl-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552709
1-(aminomethyl)-3-methyl-N-propyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552710
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757010

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 112658173) is 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CSCCN(C)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OBBHXDPDBBANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-17(6-7-18-2)11(9-16)5-3-4-10(8-11)12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 112658173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).