bis(ethane-1,2-diamine);hexanedioic acid

C10H26N4O4 — CID 88762987

IUPACbis(ethane-1,2-diamine);hexanedioic acid
SMILESNCCN.NCCN.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2C2H8N2/c7-5(8)3-1-2-4-6(9)10;2*3-1-2-4/h1-4H2,(H,7,8)(H,9,10);2*1-4H2
InChIKeyYYXFWYZZYOVZSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.48
Rot. Bonds7

About bis(ethane-1,2-diamine);hexanedioic acid

bis(ethane-1,2-diamine);hexanedioic acid (PubChem CID 88762987) has the molecular formula C10H26N4O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);hexanedioic acid.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);hexanedioic acid
PubChem CID88762987
Molecular FormulaC10H26N4O4
Molecular Weight266.34 g/mol
Exact Mass266.20
IUPAC Namebis(ethane-1,2-diamine);hexanedioic acid
SMILESNCCN.NCCN.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2C2H8N2/c7-5(8)3-1-2-4-6(9)10;2*3-1-2-4/h1-4H2,(H,7,8)(H,9,10);2*1-4H2
InChIKeyYYXFWYZZYOVZSL-UHFFFAOYSA-N
XLogP-1.48
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
4-aminobutanoic acid;dihydrochloride
CID 87111723
ethanamine;hexanedioic acid
CID 173189130
acetylene;6-aminohexanoic acid
CID 143110448
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
12-aminododecanoic acid;carbamic acid
CID 157488032

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diamine);hexanedioic acid?
The IUPAC name of bis(ethane-1,2-diamine);hexanedioic acid (CID 88762987) is bis(ethane-1,2-diamine);hexanedioic acid.
What is the SMILES notation for bis(ethane-1,2-diamine);hexanedioic acid?
The canonical SMILES for bis(ethane-1,2-diamine);hexanedioic acid is NCCN.NCCN.O=C(O)CCCCC(=O)O.
What is the InChIKey of bis(ethane-1,2-diamine);hexanedioic acid?
The InChIKey is YYXFWYZZYOVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C2H8N2/c7-5(8)3-1-2-4-6(9)10;2*3-1-2-4/h1-4H2,(H,7,8)(H,9,10);2*1-4H2.
What are the key properties of bis(ethane-1,2-diamine);hexanedioic acid?
bis(ethane-1,2-diamine);hexanedioic acid has a molecular weight of 266.34 g/mol, XLogP of -1.48, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);hexanedioic acid is sourced from PubChem (CID 88762987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).