N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)

C12H25N3O8 — CID 87573177

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
SMILESNCCNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H13N3.2C4H6O4/c5-1-3-7-4-2-6;2*5-3(6)1-2-4(7)8/h7H,1-6H2;2*1-2H2,(H,5,6)(H,7,8)
InChIKeyWVMQIHZGHLSOGC-UHFFFAOYSA-N
MW339.35 g/mol
LogP-1.63
Rot. Bonds10

About N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)

N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) (PubChem CID 87573177) has the molecular formula C12H25N3O8 and a molecular weight of 339.35 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid).

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
PubChem CID87573177
Molecular FormulaC12H25N3O8
Molecular Weight339.35 g/mol
Exact Mass339.16
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
SMILESNCCNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H13N3.2C4H6O4/c5-1-3-7-4-2-6;2*5-3(6)1-2-4(7)8/h7H,1-6H2;2*1-2H2,(H,5,6)(H,7,8)
InChIKeyWVMQIHZGHLSOGC-UHFFFAOYSA-N
XLogP-1.63
TPSA213.27 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
CID 160545758
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
2-(2-aminoethylamino)ethanol;butanoic acid
CID 161214236
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
4-(3-carboxypropylamino)butanoic acid
CID 4072500
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
CID 173009716
CID 173009716
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) (CID 87573177) is N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid).
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) is NCCNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)?
The InChIKey is WVMQIHZGHLSOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.2C4H6O4/c5-1-3-7-4-2-6;2*5-3(6)1-2-4(7)8/h7H,1-6H2;2*1-2H2,(H,5,6)(H,7,8).
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)?
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) has a molecular weight of 339.35 g/mol, XLogP of -1.63, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid) is sourced from PubChem (CID 87573177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).