ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine

C16H24F3N — CID 176556908

IUPACethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C\C(NC)C1C=CC(C(F)(F)F)=C[C@H]1C.CC
InChIInChI=1S/C14H18F3N.C2H6/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17;1-2/h4-10,12-13,18H,1H2,2-3H3;1-2H3/b6-5-;/t10-,12?,13?;/m1./s1
InChIKeyFXPUNVMOFDAUNN-JULJIOLDSA-N
MW287.37 g/mol
LogP4.65
Rot. Bonds4

About ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine

ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine (PubChem CID 176556908) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
PubChem CID176556908
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Nameethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C\C(NC)C1C=CC(C(F)(F)F)=C[C@H]1C.CC
InChIInChI=1S/C14H18F3N.C2H6/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17;1-2/h4-10,12-13,18H,1H2,2-3H3;1-2H3/b6-5-;/t10-,12?,13?;/m1./s1
InChIKeyFXPUNVMOFDAUNN-JULJIOLDSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
1-N-(3,3-difluorobutan-2-yl)-1,2,8,8a-tetrahydronaphthalene-1,8-diamine
CID 89636877
2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 89939516
1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylethanamine
CID 91012112
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
7-(3,6-Difluorocyclohexa-1,5-dien-1-yl)-2-hept-5-en-3-yl-4-methyl-1,2,3,10-tetrahydroazecine
CID 123154189
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
CID 123988716
N-[(E)-3-(5-fluoro-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)prop-2-enyl]pentan-1-amine
CID 126583499
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
CID 130286458

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine (CID 176556908) is ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine is C=C/C=C\C(NC)C1C=CC(C(F)(F)F)=C[C@H]1C.CC.
What is the InChIKey of ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
The InChIKey is FXPUNVMOFDAUNN-JULJIOLDSA-N. The full InChI is InChI=1S/C14H18F3N.C2H6/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17;1-2/h4-10,12-13,18H,1H2,2-3H3;1-2H3/b6-5-;/t10-,12?,13?;/m1./s1.
What are the key properties of ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 176556908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).