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

C9H18ClN — CID 3048405

IUPAC1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride
SMILESCC1=CCCC(C)(C)N1C.Cl
InChIInChI=1S/C9H17N.ClH/c1-8-6-5-7-9(2,3)10(8)4;/h6H,5,7H2,1-4H3;1H
InChIKeySYMOHWRYBPDPRV-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.82
Rot. Bonds

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

1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride (PubChem CID 3048405) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride.

Molecular Properties

Compound Name1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride
PubChem CID3048405
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride
SMILESCC1=CCCC(C)(C)N1C.Cl
InChIInChI=1S/C9H17N.ClH/c1-8-6-5-7-9(2,3)10(8)4;/h6H,5,7H2,1-4H3;1H
InChIKeySYMOHWRYBPDPRV-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.82
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;hydrochloride?
The IUPAC name of 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride (CID 3048405) is 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride.
What is the SMILES notation for 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride?
The canonical SMILES for 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride is CC1=CCCC(C)(C)N1C.Cl.
What is the InChIKey of 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride?
The InChIKey is SYMOHWRYBPDPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-8-6-5-7-9(2,3)10(8)4;/h6H,5,7H2,1-4H3;1H.
What are the key properties of 1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride?
1,2,2,6-tetramethyl-3,4-dihydropyridine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.82, 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;hydrochloride is sourced from PubChem (CID 3048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).