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

C15H22F3N — CID 43788014

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CC3C=CC2C3)CC1
InChIInChI=1S/C15H22F3N/c16-15(17,18)13-3-5-14(6-4-13)19-9-12-8-10-1-2-11(12)7-10/h1-2,10-14,19H,3-9H2
InChIKeyUDTPNLFZOMVNSV-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.91
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788014) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788014
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CC3C=CC2C3)CC1
InChIInChI=1S/C15H22F3N/c16-15(17,18)13-3-5-14(6-4-13)19-9-12-8-10-1-2-11(12)7-10/h1-2,10-14,19H,3-9H2
InChIKeyUDTPNLFZOMVNSV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 43788014) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCC2CC3C=CC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UDTPNLFZOMVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c16-15(17,18)13-3-5-14(6-4-13)19-9-12-8-10-1-2-11(12)7-10/h1-2,10-14,19H,3-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).