3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C11H16F3N — CID 123532002

IUPAC3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCCC1C=C(N(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N/c1-4-8-5-9(11(12,13)14)7-10(6-8)15(2)3/h6-8H,4-5H2,1-3H3
InChIKeyGLHABVAIDZSPBP-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.35
Rot. Bonds2

About 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 123532002) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID123532002
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCCC1C=C(N(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N/c1-4-8-5-9(11(12,13)14)7-10(6-8)15(2)3/h6-8H,4-5H2,1-3H3
InChIKeyGLHABVAIDZSPBP-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine
CID 67936847
5-(1,1-difluoroethyl)-N,N-dimethylcyclohexen-1-amine
CID 68374648
(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
CID 88578859
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
1-Methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157724293
[5-(1-Cyclopropylethenyl)-7-methyl-3-(3,3,3-trifluoro-2-methylpropyl)cyclohepta-1,3,4,6-tetraen-1-yl]-dimethyl-prop-1-en-2-ylazanium
CID 163853333
(3Z)-N-ethyl-3-[(E)-2-(4-fluorocyclohex-3-en-1-yl)prop-1-enyl]-4-methyl-N-propylhexa-1,3-dien-2-amine
CID 166689100
(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine
CID 167083099
1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
CID 170359675
2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 173055835
1,6-Dimethyl-2-methylidene-3-propan-2-yl-4-(trifluoromethyl)pyridine
CID 153577622
5-[(3,3-Difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256732

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 123532002) is 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CCC1C=C(N(C)C)C=C(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is GLHABVAIDZSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-8-5-9(11(12,13)14)7-10(6-8)15(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 123532002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).