bis(2-aminoethylamino) nonanedioate

C13H28N4O4 — CID 88731142

IUPACbis(2-aminoethylamino) nonanedioate
SMILESNCCNOC(=O)CCCCCCCC(=O)ONCCN
InChIInChI=1S/C13H28N4O4/c14-8-10-16-20-12(18)6-4-2-1-3-5-7-13(19)21-17-11-9-15/h16-17H,1-11,14-15H2
InChIKeyUCVZPLOVZFUNRN-UHFFFAOYSA-N
MW304.39 g/mol
LogP-0.27
Rot. Bonds14

About bis(2-aminoethylamino) nonanedioate

bis(2-aminoethylamino) nonanedioate (PubChem CID 88731142) has the molecular formula C13H28N4O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is bis(2-aminoethylamino) nonanedioate.

Molecular Properties

Compound Namebis(2-aminoethylamino) nonanedioate
PubChem CID88731142
Molecular FormulaC13H28N4O4
Molecular Weight304.39 g/mol
Exact Mass304.21
IUPAC Namebis(2-aminoethylamino) nonanedioate
SMILESNCCNOC(=O)CCCCCCCC(=O)ONCCN
InChIInChI=1S/C13H28N4O4/c14-8-10-16-20-12(18)6-4-2-1-3-5-7-13(19)21-17-11-9-15/h16-17H,1-11,14-15H2
InChIKeyUCVZPLOVZFUNRN-UHFFFAOYSA-N
XLogP-0.27
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

10-(2-aminoethylamino)oxy-10-oxodecanoic acid
CID 57065970
(2-aminoethylamino) octadecanoate
CID 87496709
4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc
CID 88642053
(dodecylamino) octanoate
CID 175102615
(hexylamino) octanoate
CID 174754807
methylamino 6-aminohexanoate
CID 176679368
(2-aminoethylamino) acetate;hydrochloride
CID 174583759
(2-aminoethylamino) acetate;chromium
CID 88783044
methyl 10-aminodecanoate
CID 10655700
disodium;(2-aminoethylamino) acetate;hydride
CID 173366093
(2-aminoethylamino) N-aminocarbamate
CID 174871175
(2-aminoethylamino) acetate;cadmium;dihydrate
CID 174988758

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethylamino) nonanedioate?
The IUPAC name of bis(2-aminoethylamino) nonanedioate (CID 88731142) is bis(2-aminoethylamino) nonanedioate.
What is the SMILES notation for bis(2-aminoethylamino) nonanedioate?
The canonical SMILES for bis(2-aminoethylamino) nonanedioate is NCCNOC(=O)CCCCCCCC(=O)ONCCN.
What is the InChIKey of bis(2-aminoethylamino) nonanedioate?
The InChIKey is UCVZPLOVZFUNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O4/c14-8-10-16-20-12(18)6-4-2-1-3-5-7-13(19)21-17-11-9-15/h16-17H,1-11,14-15H2.
What are the key properties of bis(2-aminoethylamino) nonanedioate?
bis(2-aminoethylamino) nonanedioate has a molecular weight of 304.39 g/mol, XLogP of -0.27, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethylamino) nonanedioate is sourced from PubChem (CID 88731142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).