N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine

C11H18F3N — CID 104696221

IUPACN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-8(2)7-15-10-6-4-3-5-9(10)11(12,13)14/h9-10,15H,1,3-7H2,2H3
InChIKeyXWMJPBKJXGSXIP-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds3

About N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104696221) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104696221
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-8(2)7-15-10-6-4-3-5-9(10)11(12,13)14/h9-10,15H,1,3-7H2,2H3
InChIKeyXWMJPBKJXGSXIP-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4,4-Difluorocyclohexyl)methyl](propan-2-yl)amine
CID 81931006
N-[(3,3-difluorocyclohexyl)methyl]propan-2-amine
CID 128268667
N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-5,5-difluoro-2-methylcyclohexan-1-amine
CID 145631244
[(4,4-Difluorocyclohexyl)methyl](pentan-3-yl)amine
CID 156254782
2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 24692496
cis-(1S,2R)-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28176657
trans-(1S,2S)-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28176660
trans-(1R,2R)-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28176662
cis-(1R,2S)-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28176664
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434495
N-octyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434509

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 104696221) is N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine is C=C(C)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XWMJPBKJXGSXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8(2)7-15-10-6-4-3-5-9(10)11(12,13)14/h9-10,15H,1,3-7H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104696221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).