N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine

C9H16F3N — CID 121208296

IUPACN-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNCC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3N/c1-13-7-8(9(10,11)12)5-3-2-4-6-8/h13H,2-7H2,1H3
InChIKeyZKIDXWRVNUCHBR-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds2

About N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 121208296) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID121208296
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNCC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3N/c1-13-7-8(9(10,11)12)5-3-2-4-6-8/h13H,2-7H2,1H3
InChIKeyZKIDXWRVNUCHBR-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine (CID 121208296) is N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine is CNCC1(C(F)(F)F)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is ZKIDXWRVNUCHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-13-7-8(9(10,11)12)5-3-2-4-6-8/h13H,2-7H2,1H3.
What are the key properties of N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 121208296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).