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

C13H18F3N — CID 114158619

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)C1CC2C=CC1C2
InChIInChI=1S/C13H18F3N/c1-8(11-7-9-2-3-10(11)6-9)17-12(4-5-12)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3
InChIKeyDKPCPPCHKSQAFR-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.27
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158619) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158619
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)C1CC2C=CC1C2
InChIInChI=1S/C13H18F3N/c1-8(11-7-9-2-3-10(11)6-9)17-12(4-5-12)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3
InChIKeyDKPCPPCHKSQAFR-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.27
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

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-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-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
CID 139394930
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
CID 43225272
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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788019
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158619) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is DKPCPPCHKSQAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-8(11-7-9-2-3-10(11)6-9)17-12(4-5-12)13(14,15)16/h2-3,8-11,17H,4-7H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.27, 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]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).