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

C18H35NO7 — CID 87904249

IUPACN,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCCCN(CCCC)CCCC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C12H27N.C6H8O7/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyIPEGATJTMKHXLF-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.44
Rot. Bonds14

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

N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87904249) has the molecular formula C18H35NO7 and a molecular weight of 377.48 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87904249
Molecular FormulaC18H35NO7
Molecular Weight377.48 g/mol
Exact Mass377.24
IUPAC NameN,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCCCN(CCCC)CCCC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C12H27N.C6H8O7/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyIPEGATJTMKHXLF-UHFFFAOYSA-N
XLogP2.44
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
bis(N-butylbutan-1-amine);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173418121
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
CID 175369436
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
CID 175149291
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87904249) is N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is CCCCN(CCCC)CCCC.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is IPEGATJTMKHXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C6H8O7/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 377.48 g/mol, XLogP of 2.44, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87904249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).