N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine

C13H20F3N — CID 113321761

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CC2C=CC1C2
InChIInChI=1S/C13H20F3N/c14-13(15,16)5-1-2-6-17-9-12-8-10-3-4-11(12)7-10/h3-4,10-12,17H,1-2,5-9H2
InChIKeyBXSJHHOLSKTUDN-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.52
Rot. Bonds6

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 113321761) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine
PubChem CID113321761
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CC2C=CC1C2
InChIInChI=1S/C13H20F3N/c14-13(15,16)5-1-2-6-17-9-12-8-10-3-4-11(12)7-10/h3-4,10-12,17H,1-2,5-9H2
InChIKeyBXSJHHOLSKTUDN-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2-methylamine, N-cyclopropyl-
CID 204491
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(tert-butyl)amine
CID 43754984
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 58455765
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(trifluoromethylsulfanyl)methanamine
CID 123333492
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
CID 163500206
2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 166983561
N-[(4-fluoro-2-bicyclo[2.1.1]hexanyl)methyl]pent-4-en-1-amine
CID 166995827
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(propyl)amine
CID 14921525
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)cyclohexanamine
CID 43225135
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroethanamine
CID 43180485

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine (CID 113321761) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is BXSJHHOLSKTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c14-13(15,16)5-1-2-6-17-9-12-8-10-3-4-11(12)7-10/h3-4,10-12,17H,1-2,5-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 3.52, 6 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)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113321761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).