4,5-dimethyl-2,3-dihydropyridin-1-ium

C7H12N+ — CID 134851930

IUPAC4,5-dimethyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(C)CC[NH+]=C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h5H,3-4H2,1-2H3/p+1
InChIKeyHLOOEECNZPXDQG-UHFFFAOYSA-O
MW110.18 g/mol
LogP-0.12
Rot. Bonds

About 4,5-dimethyl-2,3-dihydropyridin-1-ium

4,5-dimethyl-2,3-dihydropyridin-1-ium (PubChem CID 134851930) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydropyridin-1-ium
PubChem CID134851930
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name4,5-dimethyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(C)CC[NH+]=C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h5H,3-4H2,1-2H3/p+1
InChIKeyHLOOEECNZPXDQG-UHFFFAOYSA-O
XLogP-0.12
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
4,5-Dimethyl-2,3-dihydropyridine
CID 91598465
2-(2,3-Dihydropyridin-5-yl)ethanamine
CID 143109838
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142384169
(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 142384572
2-(3-methyl-2H-pyrrol-4-yl)ethanamine
CID 160551456
N-methyl-1-(4-methyl-2,3-dihydropyridin-5-yl)methanamine
CID 172331699

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydropyridin-1-ium?
The IUPAC name of 4,5-dimethyl-2,3-dihydropyridin-1-ium (CID 134851930) is 4,5-dimethyl-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydropyridin-1-ium?
The canonical SMILES for 4,5-dimethyl-2,3-dihydropyridin-1-ium is CC1=C(C)CC[NH+]=C1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydropyridin-1-ium?
The InChIKey is HLOOEECNZPXDQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h5H,3-4H2,1-2H3/p+1.
What are the key properties of 4,5-dimethyl-2,3-dihydropyridin-1-ium?
4,5-dimethyl-2,3-dihydropyridin-1-ium has a molecular weight of 110.18 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 134851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).