1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine

C11H21N — CID 22020018

IUPAC1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=CN(C(C)C)CCC1
InChIInChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeySPQVDRJOFRAXQT-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds2

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

1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 22020018) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID22020018
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=CN(C(C)C)CCC1
InChIInChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeySPQVDRJOFRAXQT-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 22020018) is 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1=CN(C(C)C)CCC1.
What is the InChIKey of 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is SPQVDRJOFRAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 22020018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).