N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine

C16H30F3NO — CID 64763894

IUPACN,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-12-6-7-13(14(10-12)20-4)15(2,3)8-5-9-21-11-16(17,18)19/h12-14,20H,5-11H2,1-4H3
InChIKeyWLSGIKSVNKSMOJ-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.40
Rot. Bonds7

About N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine

N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine (PubChem CID 64763894) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
PubChem CID64763894
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-12-6-7-13(14(10-12)20-4)15(2,3)8-5-9-21-11-16(17,18)19/h12-14,20H,5-11H2,1-4H3
InChIKeyWLSGIKSVNKSMOJ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The IUPAC name of N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine (CID 64763894) is N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)CCCOCC(F)(F)F.
What is the InChIKey of N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The InChIKey is WLSGIKSVNKSMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-12-6-7-13(14(10-12)20-4)15(2,3)8-5-9-21-11-16(17,18)19/h12-14,20H,5-11H2,1-4H3.
What are the key properties of N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64763894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).