2,3-di(propan-2-yl)-1,2-dihydropyridine

C11H19N — CID 121260753

IUPAC2,3-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5-9,11-12H,1-4H3
InChIKeyFEMXMDQBGCHPAG-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds2

About 2,3-di(propan-2-yl)-1,2-dihydropyridine

2,3-di(propan-2-yl)-1,2-dihydropyridine (PubChem CID 121260753) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,2-dihydropyridine
PubChem CID121260753
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,3-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5-9,11-12H,1-4H3
InChIKeyFEMXMDQBGCHPAG-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-propan-2-yl-1,2-dihydropyridine
CID 144628803
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
3-methyl-1,2-dihydropyridin-2-ol
CID 89049434
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171
1,3,4-tri(propan-2-yl)-3H-azepin-2-one
CID 162282710
1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine
CID 141463016

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,2-dihydropyridine?
The IUPAC name of 2,3-di(propan-2-yl)-1,2-dihydropyridine (CID 121260753) is 2,3-di(propan-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 2,3-di(propan-2-yl)-1,2-dihydropyridine is CC(C)C1=CC=CNC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,2-dihydropyridine?
The InChIKey is FEMXMDQBGCHPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5-9,11-12H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1,2-dihydropyridine?
2,3-di(propan-2-yl)-1,2-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 121260753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).