N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine

C22H23F6N — CID 135398356

IUPACN,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
SMILESCN(C)CCCCC=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N/c1-29(2)13-5-3-4-12-20(16-8-6-10-18(14-16)21(23,24)25)17-9-7-11-19(15-17)22(26,27)28/h6-12,14-15H,3-5,13H2,1-2H3
InChIKeySAFUFBMMPQWYIK-UHFFFAOYSA-N
MW415.42 g/mol
LogP6.89
Rot. Bonds7

About N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine

N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine (PubChem CID 135398356) has the molecular formula C22H23F6N and a molecular weight of 415.42 g/mol. Its IUPAC name is N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
PubChem CID135398356
Molecular FormulaC22H23F6N
Molecular Weight415.42 g/mol
Exact Mass415.17
IUPAC NameN,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
SMILESCN(C)CCCCC=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N/c1-29(2)13-5-3-4-12-20(16-8-6-10-18(14-16)21(23,24)25)17-9-7-11-19(15-17)22(26,27)28/h6-12,14-15H,3-5,13H2,1-2H3
InChIKeySAFUFBMMPQWYIK-UHFFFAOYSA-N
XLogP6.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 18564029
N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide
CID 147361423
N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405526
(E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-ene-1-thione
CID 10999779
1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
CID 102166579
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171986961

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine?
The IUPAC name of N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine (CID 135398356) is N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine.
What is the SMILES notation for N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine?
The canonical SMILES for N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine is CN(C)CCCCC=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine?
The InChIKey is SAFUFBMMPQWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N/c1-29(2)13-5-3-4-12-20(16-8-6-10-18(14-16)21(23,24)25)17-9-7-11-19(15-17)22(26,27)28/h6-12,14-15H,3-5,13H2,1-2H3.
What are the key properties of N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine?
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine has a molecular weight of 415.42 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine is sourced from PubChem (CID 135398356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).