N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine

C15H22F3N — CID 138519121

IUPACN-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CC1=CC=C(C(F)(F)F)CC1C)C(C)C
InChIInChI=1S/C15H22F3N/c1-5-8-19(11(2)3)10-13-6-7-14(9-12(13)4)15(16,17)18/h5-7,11-12H,1,8-10H2,2-4H3
InChIKeyJWWYMXMCKZXVTH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.34
Rot. Bonds5

About N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine

N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine (PubChem CID 138519121) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
PubChem CID138519121
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CC1=CC=C(C(F)(F)F)CC1C)C(C)C
InChIInChI=1S/C15H22F3N/c1-5-8-19(11(2)3)10-13-6-7-14(9-12(13)4)15(16,17)18/h5-7,11-12H,1,8-10H2,2-4H3
InChIKeyJWWYMXMCKZXVTH-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-fluoro-N-(1,1,2,2,3,3-hexafluorononyl)-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123387
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-fluoro-N-hexyl-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69896644
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
1-fluoro-N-(1,1,2,9,9,9-hexafluorononyl)-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 87883104
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
4-(2-fluorocyclohex-3-en-1-yl)-N-methyl-N-propylbutan-2-amine
CID 89985334
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine?
The IUPAC name of N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine (CID 138519121) is N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine is C=CCN(CC1=CC=C(C(F)(F)F)CC1C)C(C)C.
What is the InChIKey of N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine?
The InChIKey is JWWYMXMCKZXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-5-8-19(11(2)3)10-13-6-7-14(9-12(13)4)15(16,17)18/h5-7,11-12H,1,8-10H2,2-4H3.
What are the key properties of N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine?
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 138519121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).