N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C15H22F3N — CID 143189849

IUPACN-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCC1CCC(N(C)C2=CCC(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C15H22F3N/c1-11-3-7-13(8-4-11)19(2)14-9-5-12(6-10-14)15(16,17)18/h5,9-13H,3-4,6-8H2,1-2H3
InChIKeyLDZORIPRFUZSQE-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.52
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 143189849) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID143189849
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCC1CCC(N(C)C2=CCC(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C15H22F3N/c1-11-3-7-13(8-4-11)19(2)14-9-5-12(6-10-14)15(16,17)18/h5,9-13H,3-4,6-8H2,1-2H3
InChIKeyLDZORIPRFUZSQE-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
2-Methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 123456523
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
CID 130242943
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(E)-4-methyl-2-methylidene-3-prop-1-en-2-ylhex-3-enylidene]-3H-pyrrole
CID 135294797
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 138519121
N-[(2E)-3-ethenyl-4-methylpenta-2,4-dien-2-yl]-4-fluoro-N,4-dimethylcyclohexan-1-amine
CID 166788584
N-[(E)-6-ethenyloct-6-en-3-yl]-6-fluoro-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 173842377
5-Cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
CID 175611923
4-(Difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine
CID 147107152
4-Cyclohexa-2,4-dien-1-ylidene-2-(3,3-difluorocyclohexyl)-1-methylpyridine
CID 162587626

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 143189849) is N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CC1CCC(N(C)C2=CCC(C(F)(F)F)C=C2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is LDZORIPRFUZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11-3-7-13(8-4-11)19(2)14-9-5-12(6-10-14)15(16,17)18/h5,9-13H,3-4,6-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143189849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).