N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N — CID 104844817

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCC2=CCCC2)CC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-11/h3,12-13,18H,1-2,4-10H2
InChIKeyVDRJEFGGKBBPOB-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.20
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844817) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844817
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCC2=CCCC2)CC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-11/h3,12-13,18H,1-2,4-10H2
InChIKeyVDRJEFGGKBBPOB-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-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
N-[2-(cyclopenten-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 104531626
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
N-[2-(cyclopenten-1-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 115895909
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-(cyclohexylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762872
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844817) is N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCC2=CCCC2)CC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VDRJEFGGKBBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c15-14(16,17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-11/h3,12-13,18H,1-2,4-10H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-4-(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]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).