7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine

C15H26N2 — CID 86209276

IUPAC7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine
SMILESC(CCCCCCC1=CC1)=NN1CCCCC1
InChIInChI=1S/C15H26N2/c1(2-5-9-15-10-11-15)3-6-12-16-17-13-7-4-8-14-17/h10,12H,1-9,11,13-14H2
InChIKeyIIANIUPQSJFHBY-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.13
Rot. Bonds8

About 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine

7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine (PubChem CID 86209276) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine.

Molecular Properties

Compound Name7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine
PubChem CID86209276
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine
SMILESC(CCCCCCC1=CC1)=NN1CCCCC1
InChIInChI=1S/C15H26N2/c1(2-5-9-15-10-11-15)3-6-12-16-17-13-7-4-8-14-17/h10,12H,1-9,11,13-14H2
InChIKeyIIANIUPQSJFHBY-UHFFFAOYSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-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 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine?
The IUPAC name of 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine (CID 86209276) is 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine.
What is the SMILES notation for 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine?
The canonical SMILES for 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine is C(CCCCCCC1=CC1)=NN1CCCCC1.
What is the InChIKey of 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine?
The InChIKey is IIANIUPQSJFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1(2-5-9-15-10-11-15)3-6-12-16-17-13-7-4-8-14-17/h10,12H,1-9,11,13-14H2.
What are the key properties of 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine?
7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine has a molecular weight of 234.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine is sourced from PubChem (CID 86209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).