4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine

C18H26F3N — CID 143703456

IUPAC4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine
SMILESCCCC(C)CC=C(/C=C/NC1C=CC(C)=CC1)C(F)(F)F
InChIInChI=1S/C18H26F3N/c1-4-5-14(2)6-9-16(18(19,20)21)12-13-22-17-10-7-15(3)8-11-17/h7-10,12-14,17,22H,4-6,11H2,1-3H3/b13-12+,16-9?
InChIKeyKTBLTMVWTBIHIE-WNSZQWPYSA-N
MW313.41 g/mol
LogP5.68
Rot. Bonds7

About 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine

4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine (PubChem CID 143703456) has the molecular formula C18H26F3N and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine
PubChem CID143703456
Molecular FormulaC18H26F3N
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine
SMILESCCCC(C)CC=C(/C=C/NC1C=CC(C)=CC1)C(F)(F)F
InChIInChI=1S/C18H26F3N/c1-4-5-14(2)6-9-16(18(19,20)21)12-13-22-17-10-7-15(3)8-11-17/h7-10,12-14,17,22H,4-6,11H2,1-3H3/b13-12+,16-9?
InChIKeyKTBLTMVWTBIHIE-WNSZQWPYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.41
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine (CID 143703456) is 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine is CCCC(C)CC=C(/C=C/NC1C=CC(C)=CC1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is KTBLTMVWTBIHIE-WNSZQWPYSA-N. The full InChI is InChI=1S/C18H26F3N/c1-4-5-14(2)6-9-16(18(19,20)21)12-13-22-17-10-7-15(3)8-11-17/h7-10,12-14,17,22H,4-6,11H2,1-3H3/b13-12+,16-9?.
What are the key properties of 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 313.41 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143703456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).