2,5-bis(diethylamino)hexanedioic acid

C14H28N2O4 — CID 175154471

IUPAC2,5-bis(diethylamino)hexanedioic acid
SMILESCCN(CC)C(CCC(C(=O)O)N(CC)CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-5-15(6-2)11(13(17)18)9-10-12(14(19)20)16(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyBPOHOCSRVHVLCN-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.36
Rot. Bonds11

About 2,5-bis(diethylamino)hexanedioic acid

2,5-bis(diethylamino)hexanedioic acid (PubChem CID 175154471) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,5-bis(diethylamino)hexanedioic acid.

Molecular Properties

Compound Name2,5-bis(diethylamino)hexanedioic acid
PubChem CID175154471
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2,5-bis(diethylamino)hexanedioic acid
SMILESCCN(CC)C(CCC(C(=O)O)N(CC)CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-5-15(6-2)11(13(17)18)9-10-12(14(19)20)16(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyBPOHOCSRVHVLCN-UHFFFAOYSA-N
XLogP1.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
CID 23592928
(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
CID 18391752
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
CID 155231128
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
2-amino-3-[(2S)-2-carboxy-2-(diethylamino)ethyl]sulfanylpropanoic acid
CID 57257580
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(diethylamino)hexanedioic acid?
The IUPAC name of 2,5-bis(diethylamino)hexanedioic acid (CID 175154471) is 2,5-bis(diethylamino)hexanedioic acid.
What is the SMILES notation for 2,5-bis(diethylamino)hexanedioic acid?
The canonical SMILES for 2,5-bis(diethylamino)hexanedioic acid is CCN(CC)C(CCC(C(=O)O)N(CC)CC)C(=O)O.
What is the InChIKey of 2,5-bis(diethylamino)hexanedioic acid?
The InChIKey is BPOHOCSRVHVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-15(6-2)11(13(17)18)9-10-12(14(19)20)16(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,5-bis(diethylamino)hexanedioic acid?
2,5-bis(diethylamino)hexanedioic acid has a molecular weight of 288.39 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(diethylamino)hexanedioic acid is sourced from PubChem (CID 175154471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).