N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

C24H47NO7 — CID 88686314

IUPACN,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCCCCCCCCCCCCCCCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H39N.C6H8O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOGNRGGBSODEXCW-UHFFFAOYSA-N
MW461.64 g/mol
LogP4.78
Rot. Bonds20

About N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 88686314) has the molecular formula C24H47NO7 and a molecular weight of 461.64 g/mol. Its IUPAC name is N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID88686314
Molecular FormulaC24H47NO7
Molecular Weight461.64 g/mol
Exact Mass461.34
IUPAC NameN,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCCCCCCCCCCCCCCCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H39N.C6H8O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOGNRGGBSODEXCW-UHFFFAOYSA-N
XLogP4.78
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87904249
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
CID 175369436
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
CID 175149291
CID 87839414
CID 87839414
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide
CID 87845241

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 88686314) is N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is CCCCCCCCCCCCCCCCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is OGNRGGBSODEXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C6H8O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 461.64 g/mol, XLogP of 4.78, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 88686314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).