N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C16H26F3N — CID 106657478

IUPACN-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3N/c1-2-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h8,13-15,20H,2-7,9-11H2,1H3
InChIKeyNHZPRCYZZFLUKJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.83
Rot. Bonds4

About N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 106657478) has the molecular formula C16H26F3N and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID106657478
Molecular FormulaC16H26F3N
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC NameN-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3N/c1-2-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h8,13-15,20H,2-7,9-11H2,1H3
InChIKeyNHZPRCYZZFLUKJ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001196
N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105189747
N-[cyclohexen-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 106654169

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 106657478) is N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(C1=CCCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is NHZPRCYZZFLUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N/c1-2-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h8,13-15,20H,2-7,9-11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106657478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).