sodium;hydride;4-(octadecylamino)butanoic acid

C22H46NNaO2 — CID 175150235

IUPACsodium;hydride;4-(octadecylamino)butanoic acid
SMILESCCCCCCCCCCCCCCCCCCNCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C22H45NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22(24)25;;/h23H,2-21H2,1H3,(H,24,25);;/q;+1;-1
InChIKeyAJJKLAIMOITWCS-UHFFFAOYSA-N
MW379.61 g/mol
LogP3.82
Rot. Bonds21

About sodium;hydride;4-(octadecylamino)butanoic acid

sodium;hydride;4-(octadecylamino)butanoic acid (PubChem CID 175150235) has the molecular formula C22H46NNaO2 and a molecular weight of 379.61 g/mol. Its IUPAC name is sodium;hydride;4-(octadecylamino)butanoic acid.

Molecular Properties

Compound Namesodium;hydride;4-(octadecylamino)butanoic acid
PubChem CID175150235
Molecular FormulaC22H46NNaO2
Molecular Weight379.61 g/mol
Exact Mass379.34
IUPAC Namesodium;hydride;4-(octadecylamino)butanoic acid
SMILESCCCCCCCCCCCCCCCCCCNCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C22H45NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22(24)25;;/h23H,2-21H2,1H3,(H,24,25);;/q;+1;-1
InChIKeyAJJKLAIMOITWCS-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
N-butylbutan-1-amine;octanoic acid
CID 53326963
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-(octadecylamino)butanoic acid?
The IUPAC name of sodium;hydride;4-(octadecylamino)butanoic acid (CID 175150235) is sodium;hydride;4-(octadecylamino)butanoic acid.
What is the SMILES notation for sodium;hydride;4-(octadecylamino)butanoic acid?
The canonical SMILES for sodium;hydride;4-(octadecylamino)butanoic acid is CCCCCCCCCCCCCCCCCCNCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-(octadecylamino)butanoic acid?
The InChIKey is AJJKLAIMOITWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22(24)25;;/h23H,2-21H2,1H3,(H,24,25);;/q;+1;-1.
What are the key properties of sodium;hydride;4-(octadecylamino)butanoic acid?
sodium;hydride;4-(octadecylamino)butanoic acid has a molecular weight of 379.61 g/mol, XLogP of 3.82, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-(octadecylamino)butanoic acid is sourced from PubChem (CID 175150235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).