lithium 5-(dimethylamino)pentanoate

C7H14LiNO2 — CID 172641180

IUPAClithium 5-(dimethylamino)pentanoate
SMILESCN(C)CCCCC(=O)[O-].[Li+]
InChIInChI=1S/C7H15NO2.Li/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyCURDLIIQCVLSDY-UHFFFAOYSA-M
MW151.14 g/mol
LogP-3.53
Rot. Bonds5

About lithium 5-(dimethylamino)pentanoate

lithium 5-(dimethylamino)pentanoate (PubChem CID 172641180) has the molecular formula C7H14LiNO2 and a molecular weight of 151.14 g/mol. Its IUPAC name is lithium 5-(dimethylamino)pentanoate.

Molecular Properties

Compound Namelithium 5-(dimethylamino)pentanoate
PubChem CID172641180
Molecular FormulaC7H14LiNO2
Molecular Weight151.14 g/mol
Exact Mass151.12
IUPAC Namelithium 5-(dimethylamino)pentanoate
SMILESCN(C)CCCCC(=O)[O-].[Li+]
InChIInChI=1S/C7H15NO2.Li/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyCURDLIIQCVLSDY-UHFFFAOYSA-M
XLogP-3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;4-[3-carboxylatopropyl-[5-(dimethylamino)pentyl]amino]butanoate
CID 168884961
lithium;hexanedioate;hydron
CID 87066964
lithium 5-(dioctylamino)pentanoate
CID 101313475
lithium 5-[di(tetradecyl)amino]pentanoate
CID 101314175
lithium 6-[di(nonadecyl)amino]hexanoate
CID 101314649
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
cadmium(2+);hexanedioate
CID 19376883
tridecanedioate
CID 6994474
lithium 11-sulfanylundecanoate
CID 175840198
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529

Frequently Asked Questions

What is the IUPAC name of lithium 5-(dimethylamino)pentanoate?
The IUPAC name of lithium 5-(dimethylamino)pentanoate (CID 172641180) is lithium 5-(dimethylamino)pentanoate.
What is the SMILES notation for lithium 5-(dimethylamino)pentanoate?
The canonical SMILES for lithium 5-(dimethylamino)pentanoate is CN(C)CCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium 5-(dimethylamino)pentanoate?
The InChIKey is CURDLIIQCVLSDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO2.Li/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 5-(dimethylamino)pentanoate?
lithium 5-(dimethylamino)pentanoate has a molecular weight of 151.14 g/mol, XLogP of -3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(dimethylamino)pentanoate is sourced from PubChem (CID 172641180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).