1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

C15H18F5N — CID 105027599

IUPAC1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1c(F)c(F)c(F)c(F)c1F)C1CCCCCC1
InChIInChI=1S/C15H18F5N/c1-21-15(8-6-4-2-3-5-7-8)9-10(16)12(18)14(20)13(19)11(9)17/h8,15,21H,2-7H2,1H3
InChIKeyOSFZVMZVFCEKCM-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.61
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 105027599) has the molecular formula C15H18F5N and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID105027599
Molecular FormulaC15H18F5N
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1c(F)c(F)c(F)c(F)c1F)C1CCCCCC1
InChIInChI=1S/C15H18F5N/c1-21-15(8-6-4-2-3-5-7-8)9-10(16)12(18)14(20)13(19)11(9)17/h8,15,21H,2-7H2,1H3
InChIKeyOSFZVMZVFCEKCM-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 105027599) is 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is CNC(c1c(F)c(F)c(F)c(F)c1F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is OSFZVMZVFCEKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5N/c1-21-15(8-6-4-2-3-5-7-8)9-10(16)12(18)14(20)13(19)11(9)17/h8,15,21H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 307.31 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 105027599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).