4-(2,2-dimethylpropyl)-1,2-dihydropyridine

C10H17N — CID 59711032

IUPAC4-(2,2-dimethylpropyl)-1,2-dihydropyridine
SMILESCC(C)(C)CC1=CCNC=C1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4-6,11H,7-8H2,1-3H3
InChIKeyVEMXOQIYPODDJW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.47
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1,2-dihydropyridine

4-(2,2-dimethylpropyl)-1,2-dihydropyridine (PubChem CID 59711032) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1,2-dihydropyridine
PubChem CID59711032
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-(2,2-dimethylpropyl)-1,2-dihydropyridine
SMILESCC(C)(C)CC1=CCNC=C1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4-6,11H,7-8H2,1-3H3
InChIKeyVEMXOQIYPODDJW-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1,2-dihydropyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1,2-dihydropyridine (CID 59711032) is 4-(2,2-dimethylpropyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1,2-dihydropyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1,2-dihydropyridine is CC(C)(C)CC1=CCNC=C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1,2-dihydropyridine?
The InChIKey is VEMXOQIYPODDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1,2-dihydropyridine?
4-(2,2-dimethylpropyl)-1,2-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1,2-dihydropyridine is sourced from PubChem (CID 59711032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).