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

C11H21N — CID 58055997

IUPAC3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
SMILESCC(C)C1(C(C)C)CC=CNC1
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10,12H,6,8H2,1-4H3
InChIKeyBITAIGHDMRABLY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.79
Rot. Bonds2

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

3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine (PubChem CID 58055997) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
PubChem CID58055997
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
SMILESCC(C)C1(C(C)C)CC=CNC1
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10,12H,6,8H2,1-4H3
InChIKeyBITAIGHDMRABLY-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine?
The IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine (CID 58055997) is 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine.
What is the SMILES notation for 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine?
The canonical SMILES for 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine is CC(C)C1(C(C)C)CC=CNC1.
What is the InChIKey of 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine?
The InChIKey is BITAIGHDMRABLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10,12H,6,8H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine?
3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine is sourced from PubChem (CID 58055997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).