1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane

C51H102N4 — CID 157087182

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CN(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C11H23N.C11H21N.C7H14/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)7-4-3-5-7/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyAEFMGVOPOZUJNF-UHFFFAOYSA-N
MW771.40 g/mol
LogP13.68
Rot. Bonds9

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane (PubChem CID 157087182) has the molecular formula C51H102N4 and a molecular weight of 771.40 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane
PubChem CID157087182
Molecular FormulaC51H102N4
Molecular Weight771.40 g/mol
Exact Mass770.81
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CN(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C11H23N.C11H21N.C7H14/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)7-4-3-5-7/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyAEFMGVOPOZUJNF-UHFFFAOYSA-N
XLogP13.68
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.40
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane 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 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane (CID 157087182) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane is CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CN(C(C)C)CCC1.CC(C)C1CCC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane?
The InChIKey is AEFMGVOPOZUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H21N.C11H23N.C11H21N.C7H14/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)7-4-3-5-7/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane has a molecular weight of 771.40 g/mol, XLogP of 13.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane is sourced from PubChem (CID 157087182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).