N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine

C9H16F3N — CID 162585249

IUPACN,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-8(13-2)5-3-7(4-6-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyDNENQRSWUGBZNY-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds1

About N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine

N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 162585249) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID162585249
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-8(13-2)5-3-7(4-6-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyDNENQRSWUGBZNY-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 162585249) is N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine is CNC1(C)CCC(C(F)(F)F)CC1.
What is the InChIKey of N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DNENQRSWUGBZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8(13-2)5-3-7(4-6-8)9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 162585249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).