N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H21BrF3N — CID 65001869

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1(CBr)CCCCC1)C1CC1
InChIInChI=1S/C13H21BrF3N/c14-8-12(6-2-1-3-7-12)9-18(11-4-5-11)10-13(15,16)17/h11H,1-10H2
InChIKeyNEWWNBWMQGSRJE-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.36
Rot. Bonds5

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 65001869) has the molecular formula C13H21BrF3N and a molecular weight of 328.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID65001869
Molecular FormulaC13H21BrF3N
Molecular Weight328.22 g/mol
Exact Mass327.08
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1(CBr)CCCCC1)C1CC1
InChIInChI=1S/C13H21BrF3N/c14-8-12(6-2-1-3-7-12)9-18(11-4-5-11)10-13(15,16)17/h11H,1-10H2
InChIKeyNEWWNBWMQGSRJE-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 65001869) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CC1(CBr)CCCCC1)C1CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is NEWWNBWMQGSRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrF3N/c14-8-12(6-2-1-3-7-12)9-18(11-4-5-11)10-13(15,16)17/h11H,1-10H2.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 328.22 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 65001869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).