1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C11H21N — CID 59559392

IUPAC1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1CC=CCN1C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyPISBQFVDKDHSOH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

About 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine

1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 59559392) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID59559392
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1CC=CCN1C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyPISBQFVDKDHSOH-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 59559392) is 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1CC=CCN1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is PISBQFVDKDHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59559392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).