N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H25BrF3N — CID 65010133

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CBr)CCCCCC1
InChIInChI=1S/C14H25BrF3N/c1-2-9-19(12-14(16,17)18)11-13(10-15)7-5-3-4-6-8-13/h2-12H2,1H3
InChIKeyDXIQPGCVMNCIEC-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.00
Rot. Bonds6

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 65010133) has the molecular formula C14H25BrF3N and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID65010133
Molecular FormulaC14H25BrF3N
Molecular Weight344.26 g/mol
Exact Mass343.11
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CBr)CCCCCC1
InChIInChI=1S/C14H25BrF3N/c1-2-9-19(12-14(16,17)18)11-13(10-15)7-5-3-4-6-8-13/h2-12H2,1H3
InChIKeyDXIQPGCVMNCIEC-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
CID 62271295
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-(bromomethyl)cycloheptyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 65009978
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 104678834
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
CID 65458439
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62256212
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63142900
2-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486906
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 65010133) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(F)(F)F)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DXIQPGCVMNCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrF3N/c1-2-9-19(12-14(16,17)18)11-13(10-15)7-5-3-4-6-8-13/h2-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 344.26 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 65010133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).