N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N — CID 106170271

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCC1=CCCC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-7-3-4-8-13(12)18-10-9-11-5-1-2-6-11/h5,12-13,18H,1-4,6-10H2
InChIKeyPPICQWUWLOOURZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.20
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 106170271) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID106170271
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCC1=CCCC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-7-3-4-8-13(12)18-10-9-11-5-1-2-6-11/h5,12-13,18H,1-4,6-10H2
InChIKeyPPICQWUWLOOURZ-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.20
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-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine
CID 126665170
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
2-[4-(1,1-Difluoroethyl)cyclohexa-2,4-dien-1-yl]-4-methylpyrrolidine
CID 145012032
N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-5,5-difluoro-2-methylcyclohexan-1-amine
CID 145631244
2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 156624708
1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
2-[[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine
CID 163412968
(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
CID 163485821
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
CID 163500206

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 106170271) is N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PPICQWUWLOOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c15-14(16,17)12-7-3-4-8-13(12)18-10-9-11-5-1-2-6-11/h5,12-13,18H,1-4,6-10H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106170271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).