1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine

C16H21N — CID 14382064

IUPAC1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\c1ccccc1)C2(C)C
InChIInChI=1S/C16H21N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/b17-14+
InChIKeyLFPCOLZPEWUVDM-SAPNQHFASA-N
MW227.35 g/mol
LogP4.61
Rot. Bonds1

About 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine

1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine (PubChem CID 14382064) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine
PubChem CID14382064
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\c1ccccc1)C2(C)C
InChIInChI=1S/C16H21N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/b17-14+
InChIKeyLFPCOLZPEWUVDM-SAPNQHFASA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine 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 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine (CID 14382064) is 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N\c1ccccc1)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is LFPCOLZPEWUVDM-SAPNQHFASA-N. The full InChI is InChI=1S/C16H21N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/b17-14+.
What are the key properties of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 227.35 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 14382064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).