cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium

C21H30NO+ — CID 8620919

IUPACcyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium
SMILESCCOc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1
InChIInChI=1S/C21H29NO/c1-2-23-21-15-14-17-10-8-9-13-19(17)20(21)16-22-18-11-6-4-3-5-7-12-18/h8-10,13-15,18,22H,2-7,11-12,16H2,1H3/p+1
InChIKeyUUVPADUVAKILRG-UHFFFAOYSA-O
MW312.48 g/mol
LogP4.41
Rot. Bonds5

About cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium

cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium (PubChem CID 8620919) has the molecular formula C21H30NO+ and a molecular weight of 312.48 g/mol. Its IUPAC name is cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium
PubChem CID8620919
Molecular FormulaC21H30NO+
Molecular Weight312.48 g/mol
Exact Mass312.23
IUPAC Namecyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium
SMILESCCOc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1
InChIInChI=1S/C21H29NO/c1-2-23-21-15-14-17-10-8-9-13-19(17)20(21)16-22-18-11-6-4-3-5-7-12-18/h8-10,13-15,18,22H,2-7,11-12,16H2,1H3/p+1
InChIKeyUUVPADUVAKILRG-UHFFFAOYSA-O
XLogP4.41
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
1-benzyl-2-ethoxynaphthalene
CID 12064074
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171233021
2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine
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3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135094948
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium?
The IUPAC name of cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium (CID 8620919) is cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium.
What is the SMILES notation for cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium?
The canonical SMILES for cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium is CCOc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium?
The InChIKey is UUVPADUVAKILRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29NO/c1-2-23-21-15-14-17-10-8-9-13-19(17)20(21)16-22-18-11-6-4-3-5-7-12-18/h8-10,13-15,18,22H,2-7,11-12,16H2,1H3/p+1.
What are the key properties of cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium?
cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium has a molecular weight of 312.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium is sourced from PubChem (CID 8620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).