N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

C12H20F3N — CID 105163818

IUPACN,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N/c1-8(2)11(16-3)9-6-4-5-7-10(9)12(13,14)15/h9-11,16H,1,4-7H2,2-3H3
InChIKeyBZZITOULKHEJDL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.52
Rot. Bonds3

About N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 105163818) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
PubChem CID105163818
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N/c1-8(2)11(16-3)9-6-4-5-7-10(9)12(13,14)15/h9-11,16H,1,4-7H2,2-3H3
InChIKeyBZZITOULKHEJDL-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.52
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

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
1-[(8aR)-6,7-difluoro-1,2,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]-N-methylpropan-2-amine
CID 154939639
N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104696221
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108110
1-(4,4-difluorocyclohexyl)-N-propylbut-3-en-1-amine
CID 105108346
N-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108397
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108454
1-(4,4-difluorocyclohexyl)-N-methylbut-3-en-1-amine
CID 105108535
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108663
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (CID 105163818) is N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is C=C(C)C(NC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is BZZITOULKHEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(2)11(16-3)9-6-4-5-7-10(9)12(13,14)15/h9-11,16H,1,4-7H2,2-3H3.
What are the key properties of N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 105163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).