naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium

C17H17N2+ — CID 7480921

IUPACnaphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
SMILESc1ccc(C[NH2+]Cc2cccc3ccccc23)nc1
InChIInChI=1S/C17H16N2/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-11,18H,12-13H2/p+1
InChIKeyXMKBUKDUNXZFHE-UHFFFAOYSA-O
MW249.34 g/mol
LogP2.50
Rot. Bonds4

About naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium

naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium (PubChem CID 7480921) has the molecular formula C17H17N2+ and a molecular weight of 249.34 g/mol. Its IUPAC name is naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
PubChem CID7480921
Molecular FormulaC17H17N2+
Molecular Weight249.34 g/mol
Exact Mass249.14
IUPAC Namenaphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
SMILESc1ccc(C[NH2+]Cc2cccc3ccccc23)nc1
InChIInChI=1S/C17H16N2/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-11,18H,12-13H2/p+1
InChIKeyXMKBUKDUNXZFHE-UHFFFAOYSA-O
XLogP2.50
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(naphthalen-1-ylmethyl)azanium
CID 4663788
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
CID 11766965
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
N-(naphthalen-1-ylmethyl)-N-(pyridin-2-ylmethyl)formamide
CID 169111587
oxido(pyridin-2-ylmethyl)azanium
CID 87207811
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
2-[(4-naphthalen-1-ylnaphthalen-1-yl)methyl]pyridine
CID 58939537
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44663912
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium?
The IUPAC name of naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium (CID 7480921) is naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium?
The canonical SMILES for naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium is c1ccc(C[NH2+]Cc2cccc3ccccc23)nc1.
What is the InChIKey of naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium?
The InChIKey is XMKBUKDUNXZFHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-11,18H,12-13H2/p+1.
What are the key properties of naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium?
naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium has a molecular weight of 249.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7480921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).