4,6-di(propan-2-yl)-1,2-dihydropyridine

C11H19N — CID 167420607

IUPAC4,6-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=CCNC(C(C)C)=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-11(7-10)9(3)4/h5,7-9,12H,6H2,1-4H3
InChIKeySBYAAWAJGRTMSL-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds2

About 4,6-di(propan-2-yl)-1,2-dihydropyridine

4,6-di(propan-2-yl)-1,2-dihydropyridine (PubChem CID 167420607) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,2-dihydropyridine
PubChem CID167420607
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4,6-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=CCNC(C(C)C)=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-11(7-10)9(3)4/h5,7-9,12H,6H2,1-4H3
InChIKeySBYAAWAJGRTMSL-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

6-chloro-4-propan-2-yl-1,2-dihydropyridine
CID 166830735
3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
CID 140891182
(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 89393747
5-propan-2-yl-1,2,3,4-tetrahydropyrazine
CID 158322514
3-propan-2-ylcyclopenta-1,3-diene-1-carboxylic acid
CID 162158340
3,6-di(propan-2-yl)-1,2-dihydropyridazine
CID 126621152
hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride
CID 174990911
bis(2-propan-2-ylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 174990964
1-chloro-3-methyl-5-propan-2-ylcyclohepta-1,3,5-triene;ethane
CID 143987712
6-methyl-4-(2-methylpropyl)-1,2-dihydropyridine
CID 145003994
5-hydroxy-4-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
CID 146248406
bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
CID 142741028

Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1,2-dihydropyridine?
The IUPAC name of 4,6-di(propan-2-yl)-1,2-dihydropyridine (CID 167420607) is 4,6-di(propan-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 4,6-di(propan-2-yl)-1,2-dihydropyridine is CC(C)C1=CCNC(C(C)C)=C1.
What is the InChIKey of 4,6-di(propan-2-yl)-1,2-dihydropyridine?
The InChIKey is SBYAAWAJGRTMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-5-6-12-11(7-10)9(3)4/h5,7-9,12H,6H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-1,2-dihydropyridine?
4,6-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 4,6-di(propan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 167420607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).