naphthalen-1-yl-pentyl-dipropylazanium hydroxide

C21H33NO — CID 70584582

IUPACnaphthalen-1-yl-pentyl-dipropylazanium hydroxide
SMILESCCCCC[N+](CCC)(CCC)c1cccc2ccccc12.[OH-]
InChIInChI=1S/C21H32N.H2O/c1-4-7-10-18-22(16-5-2,17-6-3)21-15-11-13-19-12-8-9-14-20(19)21;/h8-9,11-15H,4-7,10,16-18H2,1-3H3;1H2/q+1;/p-1
InChIKeyAWPAPBQVBKDQBY-UHFFFAOYSA-M
MW315.50 g/mol
LogP5.98
Rot. Bonds9

About naphthalen-1-yl-pentyl-dipropylazanium hydroxide

naphthalen-1-yl-pentyl-dipropylazanium hydroxide (PubChem CID 70584582) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is naphthalen-1-yl-pentyl-dipropylazanium hydroxide.

Molecular Properties

Compound Namenaphthalen-1-yl-pentyl-dipropylazanium hydroxide
PubChem CID70584582
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Namenaphthalen-1-yl-pentyl-dipropylazanium hydroxide
SMILESCCCCC[N+](CCC)(CCC)c1cccc2ccccc12.[OH-]
InChIInChI=1S/C21H32N.H2O/c1-4-7-10-18-22(16-5-2,17-6-3)21-15-11-13-19-12-8-9-14-20(19)21;/h8-9,11-15H,4-7,10,16-18H2,1-3H3;1H2/q+1;/p-1
InChIKeyAWPAPBQVBKDQBY-UHFFFAOYSA-M
XLogP5.98
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-naphthalen-1-yl-octadecylazanium chloride
CID 70522078
(2-methylphenyl)-octadecyl-dipropylazanium hydroxide
CID 70584646
(2-methylphenyl)-pentyl-dipropylazanium chloride
CID 70520938
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
CID 88833984
heptane;phenanthrene
CID 157482146
1-chloronaphthalene;pentane
CID 19360859
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
dodecane-1-thiol;naphthalene-1-thiol
CID 141238659
1-tetradecylnaphthalene
CID 14402128
didodecyl(dimethyl)azanium;toluene;bromide
CID 158932799
potassium;hydride;1-octylnaphthalene
CID 173443599
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-pentyl-dipropylazanium hydroxide?
The IUPAC name of naphthalen-1-yl-pentyl-dipropylazanium hydroxide (CID 70584582) is naphthalen-1-yl-pentyl-dipropylazanium hydroxide.
What is the SMILES notation for naphthalen-1-yl-pentyl-dipropylazanium hydroxide?
The canonical SMILES for naphthalen-1-yl-pentyl-dipropylazanium hydroxide is CCCCC[N+](CCC)(CCC)c1cccc2ccccc12.[OH-].
What is the InChIKey of naphthalen-1-yl-pentyl-dipropylazanium hydroxide?
The InChIKey is AWPAPBQVBKDQBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H32N.H2O/c1-4-7-10-18-22(16-5-2,17-6-3)21-15-11-13-19-12-8-9-14-20(19)21;/h8-9,11-15H,4-7,10,16-18H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of naphthalen-1-yl-pentyl-dipropylazanium hydroxide?
naphthalen-1-yl-pentyl-dipropylazanium hydroxide has a molecular weight of 315.50 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-pentyl-dipropylazanium hydroxide is sourced from PubChem (CID 70584582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).