1,2,2,6-tetramethyl-3,4-dihydropyridine

C9H17N — CID 3047647

IUPAC1,2,2,6-tetramethyl-3,4-dihydropyridine
SMILESCC1=CCCC(C)(C)N1C
InChIInChI=1S/C9H17N/c1-8-6-5-7-9(2,3)10(8)4/h6H,5,7H2,1-4H3
InChIKeyJNOZNCBBHYHMBY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds

About 1,2,2,6-tetramethyl-3,4-dihydropyridine

1,2,2,6-tetramethyl-3,4-dihydropyridine (PubChem CID 3047647) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2,2,6-tetramethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name1,2,2,6-tetramethyl-3,4-dihydropyridine
PubChem CID3047647
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2,2,6-tetramethyl-3,4-dihydropyridine
SMILESCC1=CCCC(C)(C)N1C
InChIInChI=1S/C9H17N/c1-8-6-5-7-9(2,3)10(8)4/h6H,5,7H2,1-4H3
InChIKeyJNOZNCBBHYHMBY-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6-tetramethyl-3,4-dihydropyridine?
The IUPAC name of 1,2,2,6-tetramethyl-3,4-dihydropyridine (CID 3047647) is 1,2,2,6-tetramethyl-3,4-dihydropyridine.
What is the SMILES notation for 1,2,2,6-tetramethyl-3,4-dihydropyridine?
The canonical SMILES for 1,2,2,6-tetramethyl-3,4-dihydropyridine is CC1=CCCC(C)(C)N1C.
What is the InChIKey of 1,2,2,6-tetramethyl-3,4-dihydropyridine?
The InChIKey is JNOZNCBBHYHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-6-5-7-9(2,3)10(8)4/h6H,5,7H2,1-4H3.
What are the key properties of 1,2,2,6-tetramethyl-3,4-dihydropyridine?
1,2,2,6-tetramethyl-3,4-dihydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6-tetramethyl-3,4-dihydropyridine is sourced from PubChem (CID 3047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).