N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 64755287

IUPACN-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCOC2CCCC2)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-7-12(8-6-11)18-9-10-19-13-3-1-2-4-13/h11-13,18H,1-10H2
InChIKeyXAKBPJIHDIXETH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755287) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755287
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCOC2CCCC2)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-7-12(8-6-11)18-9-10-19-13-3-1-2-4-13/h11-13,18H,1-10H2
InChIKeyXAKBPJIHDIXETH-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
N-[4-(trifluoromethyl)cyclohexyl]oxan-3-amine
CID 64175790
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128257958
N-[(4,4-difluorocyclohexyl)methyl]oxan-3-amine
CID 128268753
(3S)-N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128401873
8-Methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
CID 134430011
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
(3S)-N-[4-(trifluoromethyl)cyclohexyl]oxan-3-amine
CID 170214821
2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43788025

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755287) is N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCOC2CCCC2)CC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XAKBPJIHDIXETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)11-5-7-12(8-6-11)18-9-10-19-13-3-1-2-4-13/h11-13,18H,1-10H2.
What are the key properties of N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).