N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H22F3NO — CID 43435226

IUPACN-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9(2)7-16-10-4-3-5-11(6-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyWCOVLXMYUSAVOV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435226) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435226
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9(2)7-16-10-4-3-5-11(6-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyWCOVLXMYUSAVOV-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)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

Related Compounds

3-methoxy-N-methylcyclohexan-1-amine
CID 14480118
[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
1,1,1-Trifluoro-2-[[3-(trifluoromethoxy)cyclohexyl]amino]propan-2-ol
CID 149820458
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435232
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435240
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435245

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435226) is N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is WCOVLXMYUSAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)7-16-10-4-3-5-11(6-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).