(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium

C8H15N2+ — CID 156680922

IUPAC(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium
SMILESCC1=CC(C)=C(C[NH3+])CN1
InChIInChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,4-5,9H2,1-2H3/p+1
InChIKeyYGAJDFDMECYUAW-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.05
Rot. Bonds1

About (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium

(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium (PubChem CID 156680922) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium.

Molecular Properties

Compound Name(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium
PubChem CID156680922
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium
SMILESCC1=CC(C)=C(C[NH3+])CN1
InChIInChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,4-5,9H2,1-2H3/p+1
InChIKeyYGAJDFDMECYUAW-UHFFFAOYSA-O
XLogP0.05
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium?
The IUPAC name of (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium (CID 156680922) is (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium.
What is the SMILES notation for (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium?
The canonical SMILES for (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium is CC1=CC(C)=C(C[NH3+])CN1.
What is the InChIKey of (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium?
The InChIKey is YGAJDFDMECYUAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,4-5,9H2,1-2H3/p+1.
What are the key properties of (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium?
(4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium has a molecular weight of 139.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1,2-dihydropyridin-3-yl)methylazanium is sourced from PubChem (CID 156680922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).