6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine

C17H17N2+ — CID 7123233

IUPAC6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine
SMILESCc1cccc(NCc2cccc3ccccc23)[nH+]1
InChIInChI=1S/C17H16N2/c1-13-6-4-11-17(19-13)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11H,12H2,1H3,(H,18,19)/p+1
InChIKeyCIWDBJDPJSIWRA-UHFFFAOYSA-O
MW249.34 g/mol
LogP3.57
Rot. Bonds3

About 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine

6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine (PubChem CID 7123233) has the molecular formula C17H17N2+ and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine.

Molecular Properties

Compound Name6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine
PubChem CID7123233
Molecular FormulaC17H17N2+
Molecular Weight249.34 g/mol
Exact Mass249.14
IUPAC Name6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine
SMILESCc1cccc(NCc2cccc3ccccc23)[nH+]1
InChIInChI=1S/C17H16N2/c1-13-6-4-11-17(19-13)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11H,12H2,1H3,(H,18,19)/p+1
InChIKeyCIWDBJDPJSIWRA-UHFFFAOYSA-O
XLogP3.57
TPSA26.17 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine?
The IUPAC name of 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine (CID 7123233) is 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine.
What is the SMILES notation for 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine?
The canonical SMILES for 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine is Cc1cccc(NCc2cccc3ccccc23)[nH+]1.
What is the InChIKey of 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine?
The InChIKey is CIWDBJDPJSIWRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2/c1-13-6-4-11-17(19-13)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11H,12H2,1H3,(H,18,19)/p+1.
What are the key properties of 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine?
6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine is sourced from PubChem (CID 7123233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).