N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C16H24F3NO — CID 43791725

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C16H24F3NO/c17-16(18,19)10-21-15-3-1-2-14(8-15)20-9-13-7-11-4-5-12(13)6-11/h4-5,11-15,20H,1-3,6-10H2
InChIKeyPDXRCNIBPGNDDJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.68
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43791725) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43791725
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C16H24F3NO/c17-16(18,19)10-21-15-3-1-2-14(8-15)20-9-13-7-11-4-5-12(13)6-11/h4-5,11-15,20H,1-3,6-10H2
InChIKeyPDXRCNIBPGNDDJ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435227
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791727
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43225560
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
3-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol
CID 43792303
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602845
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyloxan-4-amine
CID 103887928

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43791725) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCC2CC3C=CC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is PDXRCNIBPGNDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c17-16(18,19)10-21-15-3-1-2-14(8-15)20-9-13-7-11-4-5-12(13)6-11/h4-5,11-15,20H,1-3,6-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43791725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).