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

C10H17N — CID 123985988

IUPAC2-(2,2-dimethylpropyl)-2,3-dihydropyridine
SMILESCC(C)(C)CC1CC=CC=N1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-6-4-5-7-11-9/h4-5,7,9H,6,8H2,1-3H3
InChIKeyBVUAFQBKZUYLNW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-2,3-dihydropyridine (PubChem CID 123985988) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2,3-dihydropyridine
PubChem CID123985988
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(2,2-dimethylpropyl)-2,3-dihydropyridine
SMILESCC(C)(C)CC1CC=CC=N1
InChIInChI=1S/C10H17N/c1-10(2,3)8-9-6-4-5-7-11-9/h4-5,7,9H,6,8H2,1-3H3
InChIKeyBVUAFQBKZUYLNW-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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Related Compounds

4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole
CID 139886570
N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
2-propan-2-yl-2,3-dihydropyridine
CID 91526421
2,3-dihydropyridine-2-thiol
CID 91440046
(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
CID 70224369
5-(2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 15913732
7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58592691
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
1,3a,4,8a-tetrahydropyrrolo[2,3-b]azepine
CID 143712177
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
CID 143683751
2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
CID 143245934

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-2,3-dihydropyridine (CID 123985988) is 2-(2,2-dimethylpropyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2,3-dihydropyridine is CC(C)(C)CC1CC=CC=N1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2,3-dihydropyridine?
The InChIKey is BVUAFQBKZUYLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)8-9-6-4-5-7-11-9/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2,3-dihydropyridine?
2-(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 2-(2,2-dimethylpropyl)-2,3-dihydropyridine is sourced from PubChem (CID 123985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).