4-(2,2-dimethylpropyl)-2,3-dihydropyridine

C10H17N — CID 129189299

IUPAC4-(2,2-dimethylpropyl)-2,3-dihydropyridine
SMILESCC(C)(C)CC1=CC=NCC1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4,6H,5,7-8H2,1-3H3
InChIKeyLPMKAYLZWTVRCW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2,3-dihydropyridine

4-(2,2-dimethylpropyl)-2,3-dihydropyridine (PubChem CID 129189299) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,3-dihydropyridine
PubChem CID129189299
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-(2,2-dimethylpropyl)-2,3-dihydropyridine
SMILESCC(C)(C)CC1=CC=NCC1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4,6H,5,7-8H2,1-3H3
InChIKeyLPMKAYLZWTVRCW-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydropyridine (CID 129189299) is 4-(2,2-dimethylpropyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,3-dihydropyridine is CC(C)(C)CC1=CC=NCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The InChIKey is LPMKAYLZWTVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)8-9-4-6-11-7-5-9/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,3-dihydropyridine?
4-(2,2-dimethylpropyl)-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,3-dihydropyridine is sourced from PubChem (CID 129189299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).