N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H24F3N — CID 43788019

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)C1CC2C=CC1C2
InChIInChI=1S/C16H24F3N/c1-10(15-9-11-2-3-12(15)8-11)20-14-6-4-13(5-7-14)16(17,18)19/h2-3,10-15,20H,4-9H2,1H3
InChIKeyVQNYXCISOPZFEN-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788019) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788019
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)C1CC2C=CC1C2
InChIInChI=1S/C16H24F3N/c1-10(15-9-11-2-3-12(15)8-11)20-14-6-4-13(5-7-14)16(17,18)19/h2-3,10-15,20H,4-9H2,1H3
InChIKeyVQNYXCISOPZFEN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.30
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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 58455765
1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
CID 139394930
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)cyclohexanamine
CID 43225135
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 43755081
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788014
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788060
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788065
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43791399
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43791404
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856332
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 63226032
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226603

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43788019) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCC(C(F)(F)F)CC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VQNYXCISOPZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-10(15-9-11-2-3-12(15)8-11)20-14-6-4-13(5-7-14)16(17,18)19/h2-3,10-15,20H,4-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).