1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine

C8H15N2+ — CID 174251815

IUPAC1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine
SMILESCC1C=CC(N)=[N+](C)C1C
InChIInChI=1S/C8H14N2/c1-6-4-5-8(9)10(3)7(6)2/h4-7,9H,1-3H3/p+1
InChIKeyXWJWKJIEZNIOHC-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.58
Rot. Bonds

About 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine

1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine (PubChem CID 174251815) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine.

Molecular Properties

Compound Name1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine
PubChem CID174251815
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine
SMILESCC1C=CC(N)=[N+](C)C1C
InChIInChI=1S/C8H14N2/c1-6-4-5-8(9)10(3)7(6)2/h4-7,9H,1-3H3/p+1
InChIKeyXWJWKJIEZNIOHC-UHFFFAOYSA-O
XLogP0.58
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine?
The IUPAC name of 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine (CID 174251815) is 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine.
What is the SMILES notation for 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine?
The canonical SMILES for 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine is CC1C=CC(N)=[N+](C)C1C.
What is the InChIKey of 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine?
The InChIKey is XWJWKJIEZNIOHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-6-4-5-8(9)10(3)7(6)2/h4-7,9H,1-3H3/p+1.
What are the key properties of 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine?
1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine has a molecular weight of 139.22 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2,3-dihydropyridin-1-ium-6-amine is sourced from PubChem (CID 174251815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).