N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine

C10H18F3N — CID 145167774

IUPACN,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCN(C)C[C@H]1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-14(2)7-8-5-3-4-6-9(8)10(11,12)13/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyPEXHWEGPIUEHGF-VEDVMXKPSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds2

About N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine

N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 145167774) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID145167774
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCN(C)C[C@H]1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-14(2)7-8-5-3-4-6-9(8)10(11,12)13/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyPEXHWEGPIUEHGF-VEDVMXKPSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine (CID 145167774) is N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine is CN(C)C[C@H]1CCCCC1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PEXHWEGPIUEHGF-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H18F3N/c1-14(2)7-8-5-3-4-6-9(8)10(11,12)13/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine?
N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S)-2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 145167774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).