1-methyl-N-propan-2-ylpyridin-1-ium-4-amine

C9H15N2+ — CID 90874044

IUPAC1-methyl-N-propan-2-ylpyridin-1-ium-4-amine
SMILESCC(C)Nc1cc[n+](C)cc1
InChIInChI=1S/C9H14N2/c1-8(2)10-9-4-6-11(3)7-5-9/h4-8H,1-3H3/p+1
InChIKeyUCECYHNFKZGUEM-UHFFFAOYSA-O
MW151.23 g/mol
LogP1.33
Rot. Bonds2

About 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine

1-methyl-N-propan-2-ylpyridin-1-ium-4-amine (PubChem CID 90874044) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine.

Molecular Properties

Compound Name1-methyl-N-propan-2-ylpyridin-1-ium-4-amine
PubChem CID90874044
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1-methyl-N-propan-2-ylpyridin-1-ium-4-amine
SMILESCC(C)Nc1cc[n+](C)cc1
InChIInChI=1S/C9H14N2/c1-8(2)10-9-4-6-11(3)7-5-9/h4-8H,1-3H3/p+1
InChIKeyUCECYHNFKZGUEM-UHFFFAOYSA-O
XLogP1.33
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.33
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-methyl-N-propan-2-ylpyridin-1-ium-4-amine?
The IUPAC name of 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine (CID 90874044) is 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine.
What is the SMILES notation for 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine?
The canonical SMILES for 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine is CC(C)Nc1cc[n+](C)cc1.
What is the InChIKey of 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine?
The InChIKey is UCECYHNFKZGUEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2/c1-8(2)10-9-4-6-11(3)7-5-9/h4-8H,1-3H3/p+1.
What are the key properties of 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine?
1-methyl-N-propan-2-ylpyridin-1-ium-4-amine has a molecular weight of 151.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-ylpyridin-1-ium-4-amine is sourced from PubChem (CID 90874044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).