N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H18F3N — CID 114615558

IUPACN-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-8(2)7-15-10-5-3-4-9(6-10)11(12,13)14/h9-10,15H,1,3-7H2,2H3
InChIKeyYTTJATZFJLKKCP-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds3

About N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114615558) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114615558
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-8(2)7-15-10-5-3-4-9(6-10)11(12,13)14/h9-10,15H,1,3-7H2,2H3
InChIKeyYTTJATZFJLKKCP-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

3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
cis-(1S,3R)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99827879
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115300
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 119043940

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 114615558) is N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine is C=C(C)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YTTJATZFJLKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8(2)7-15-10-5-3-4-9(6-10)11(12,13)14/h9-10,15H,1,3-7H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methylprop-2-enyl)-3-(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)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114615558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).