N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine

C11H20N2 — CID 91104453

IUPACN-(2-piperidin-1-ylprop-1-enyl)propan-2-imine
SMILESCC(=CN=C(C)C)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-10(2)12-9-11(3)13-7-5-4-6-8-13/h9H,4-8H2,1-3H3
InChIKeyXSBIWMGVEYCLQJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds2

About N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine

N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine (PubChem CID 91104453) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylprop-1-enyl)propan-2-imine
PubChem CID91104453
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(2-piperidin-1-ylprop-1-enyl)propan-2-imine
SMILESCC(=CN=C(C)C)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-10(2)12-9-11(3)13-7-5-4-6-8-13/h9H,4-8H2,1-3H3
InChIKeyXSBIWMGVEYCLQJ-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-piperidin-1-ylprop-1-enyl)propan-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 N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine?
The IUPAC name of N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine (CID 91104453) is N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine.
What is the SMILES notation for N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine?
The canonical SMILES for N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine is CC(=CN=C(C)C)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine?
The InChIKey is XSBIWMGVEYCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)12-9-11(3)13-7-5-4-6-8-13/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine?
N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine is sourced from PubChem (CID 91104453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).