1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine

C13H21N — CID 14893011

IUPAC1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine
SMILESC=CC/N=C1/C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H21N/c1-5-8-14-11-12(2,3)10-6-7-13(11,4)9-10/h5,10H,1,6-9H2,2-4H3/b14-11+
InChIKeyXMGZJZRNBWVKDY-SDNWHVSQSA-N
MW191.32 g/mol
LogP3.46
Rot. Bonds2

About 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine

1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine (PubChem CID 14893011) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine
PubChem CID14893011
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine
SMILESC=CC/N=C1/C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H21N/c1-5-8-14-11-12(2,3)10-6-7-13(11,4)9-10/h5,10H,1,6-9H2,2-4H3/b14-11+
InChIKeyXMGZJZRNBWVKDY-SDNWHVSQSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3,3-trimethyl-N-prop-2-enylbicyclo[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 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine (CID 14893011) is 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine is C=CC/N=C1/C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is XMGZJZRNBWVKDY-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-14-11-12(2,3)10-6-7-13(11,4)9-10/h5,10H,1,6-9H2,2-4H3/b14-11+.
What are the key properties of 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine?
1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 191.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 14893011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).