bis(naphthalen-1-ylmethyl)azanium

C22H20N+ — CID 4663788

IUPACbis(naphthalen-1-ylmethyl)azanium
SMILESc1ccc2c(C[NH2+]Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H19N/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23H,15-16H2/p+1
InChIKeyGKMOEOCCICICGF-UHFFFAOYSA-O
MW298.41 g/mol
LogP4.26
Rot. Bonds4

About bis(naphthalen-1-ylmethyl)azanium

bis(naphthalen-1-ylmethyl)azanium (PubChem CID 4663788) has the molecular formula C22H20N+ and a molecular weight of 298.41 g/mol. Its IUPAC name is bis(naphthalen-1-ylmethyl)azanium.

Molecular Properties

Compound Namebis(naphthalen-1-ylmethyl)azanium
PubChem CID4663788
Molecular FormulaC22H20N+
Molecular Weight298.41 g/mol
Exact Mass298.16
IUPAC Namebis(naphthalen-1-ylmethyl)azanium
SMILESc1ccc2c(C[NH2+]Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H19N/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23H,15-16H2/p+1
InChIKeyGKMOEOCCICICGF-UHFFFAOYSA-O
XLogP4.26
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
CID 11766965
naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
CID 7480921
naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7452688
CID 66760372
CID 66760372
[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium
CID 7322192
CID 57419547
CID 57419547
azane;1-ethylnaphthalene
CID 19048185
sodium;1-ethylnaphthalene;hydride
CID 174300793
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
[hydroxy(diphosphono)methyl]-(naphthalen-1-ylmethyl)azanium
CID 5276548
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane
CID 139949554

Frequently Asked Questions

What is the IUPAC name of bis(naphthalen-1-ylmethyl)azanium?
The IUPAC name of bis(naphthalen-1-ylmethyl)azanium (CID 4663788) is bis(naphthalen-1-ylmethyl)azanium.
What is the SMILES notation for bis(naphthalen-1-ylmethyl)azanium?
The canonical SMILES for bis(naphthalen-1-ylmethyl)azanium is c1ccc2c(C[NH2+]Cc3cccc4ccccc34)cccc2c1.
What is the InChIKey of bis(naphthalen-1-ylmethyl)azanium?
The InChIKey is GKMOEOCCICICGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19N/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23H,15-16H2/p+1.
What are the key properties of bis(naphthalen-1-ylmethyl)azanium?
bis(naphthalen-1-ylmethyl)azanium has a molecular weight of 298.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ylmethyl)azanium is sourced from PubChem (CID 4663788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).