1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine

C16H28N2 — CID 134822170

IUPAC1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\CCN1CCCC1)C2(C)C
InChIInChI=1S/C16H28N2/c1-15(2)13-6-7-16(15,3)14(12-13)17-8-11-18-9-4-5-10-18/h13H,4-12H2,1-3H3/b17-14+
InChIKeyRDFDLFXKYMPSKE-SAPNQHFASA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds3

About 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine

1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine (PubChem CID 134822170) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine
PubChem CID134822170
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\CCN1CCCC1)C2(C)C
InChIInChI=1S/C16H28N2/c1-15(2)13-6-7-16(15,3)14(12-13)17-8-11-18-9-4-5-10-18/h13H,4-12H2,1-3H3/b17-14+
InChIKeyRDFDLFXKYMPSKE-SAPNQHFASA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[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-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine (CID 134822170) is 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N\CCN1CCCC1)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine?
The InChIKey is RDFDLFXKYMPSKE-SAPNQHFASA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2)13-6-7-16(15,3)14(12-13)17-8-11-18-9-4-5-10-18/h13H,4-12H2,1-3H3/b17-14+.
What are the key properties of 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine has a molecular weight of 248.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 134822170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).