N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H20F3N — CID 106210911

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC1=CC(C)CC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N/c1-9-5-10(2)7-11(6-9)8-17-12(3-4-12)13(14,15)16/h5,9,11,17H,3-4,6-8H2,1-2H3
InChIKeyQRFSUQXZZMQBEJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.66
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210911) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210911
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC1=CC(C)CC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N/c1-9-5-10(2)7-11(6-9)8-17-12(3-4-12)13(14,15)16/h5,9,11,17H,3-4,6-8H2,1-2H3
InChIKeyQRFSUQXZZMQBEJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.66
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

N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine
CID 139356925
(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine
CID 142543505
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
N,2-dimethyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-1-amine
CID 156864320
1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
1-[3-(aminomethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylcyclopropan-1-amine
CID 163430158
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
CID 163500206
N,4-dimethyl-3-(trifluoromethyl)cyclohept-4-en-1-amine
CID 169901780
2-(difluoromethyl)-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496591
(2R)-2-(difluoromethyl)-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496609

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210911) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC1=CC(C)CC(CNC2(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is QRFSUQXZZMQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-9-5-10(2)7-11(6-9)8-17-12(3-4-12)13(14,15)16/h5,9,11,17H,3-4,6-8H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).