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

C14H18F3N — CID 176556909

IUPAC(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
InChIInChI=1S/C14H18F3N/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17/h4-10,12-13,18H,1H2,2-3H3/b6-5-/t10-,12?,13?/m1/s1
InChIKeyULIDOANSUVTFDK-BMJPCOHBSA-N
MW257.30 g/mol
LogP3.63
Rot. Bonds4

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

(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine (PubChem CID 176556909) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
PubChem CID176556909
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(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
InChIInChI=1S/C14H18F3N/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17/h4-10,12-13,18H,1H2,2-3H3/b6-5-/t10-,12?,13?/m1/s1
InChIKeyULIDOANSUVTFDK-BMJPCOHBSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.63
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
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
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

Frequently Asked Questions

What is the IUPAC name of (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 (2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine (CID 176556909) is (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 (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 (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.
What is the InChIKey of (2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
The InChIKey is ULIDOANSUVTFDK-BMJPCOHBSA-N. The full InChI is InChI=1S/C14H18F3N/c1-4-5-6-13(18-3)12-8-7-11(9-10(12)2)14(15,16)17/h4-10,12-13,18H,1H2,2-3H3/b6-5-/t10-,12?,13?/m1/s1.
What are the key properties of (2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine?
(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 257.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 176556909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).