3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine

C13H18F3N — CID 123256765

IUPAC3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(C=C2CCCC2)CC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N/c14-13(15,16)11-6-10(7-12(17)8-11)5-9-3-1-2-4-9/h5,7,11-12H,1-4,6,8,17H2
InChIKeyMZGNGQOXPQKZFZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.71
Rot. Bonds1

About 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine

3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine (PubChem CID 123256765) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine
PubChem CID123256765
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(C=C2CCCC2)CC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N/c14-13(15,16)11-6-10(7-12(17)8-11)5-9-3-1-2-4-9/h5,7,11-12H,1-4,6,8,17H2
InChIKeyMZGNGQOXPQKZFZ-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
2-fluoro-2,3,3a,4,5,6-hexahydro-1H-inden-5-amine
CID 89073624
2-Methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89074090
cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
CID 89176002
(1R)-1-[(2R,5R)-2-fluoro-4,5-dimethylcyclohex-3-en-1-yl]ethanamine
CID 89318382
2-(Aminomethyl)-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 124095358
[4-[(2S)-3,3-difluorobutan-2-yl]cyclopenta-1,3-dien-1-yl]methanamine
CID 124095417
1-[4-(3,3-Difluorobutyl)-3-methylcyclopenta-1,3-dien-1-yl]ethanamine
CID 124095419
(2Z,4S)-5,5-difluoro-4-methyl-2-prop-2-enylidenehexane-1,3-diamine
CID 124095514
1-[6-Fluoro-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
CID 124095866
1-[4-Butan-2-yl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 135190369
[4-Methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142478074

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine (CID 123256765) is 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine is NC1C=C(C=C2CCCC2)CC(C(F)(F)F)C1.
What is the InChIKey of 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine?
The InChIKey is MZGNGQOXPQKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c14-13(15,16)11-6-10(7-12(17)8-11)5-9-3-1-2-4-9/h5,7,11-12H,1-4,6,8,17H2.
What are the key properties of 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine?
3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 123256765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).