N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid

C4H15CuN3O4S — CID 175486364

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
SMILESNCCNCCN.O=S(=O)(O)O.[Cu]
InChIInChI=1S/C4H13N3.Cu.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,1-6H2;;(H2,1,2,3,4)
InChIKeyNERMWOGSHRLLNQ-UHFFFAOYSA-N
MW264.79 g/mol
LogP-2.16
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid

N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid (PubChem CID 175486364) has the molecular formula C4H15CuN3O4S and a molecular weight of 264.79 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
PubChem CID175486364
Molecular FormulaC4H15CuN3O4S
Molecular Weight264.79 g/mol
Exact Mass264.01
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
SMILESNCCNCCN.O=S(=O)(O)O.[Cu]
InChIInChI=1S/C4H13N3.Cu.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,1-6H2;;(H2,1,2,3,4)
InChIKeyNERMWOGSHRLLNQ-UHFFFAOYSA-N
XLogP-2.16
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.79
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
3-(2-aminoethylamino)propane-1-sulfonic acid;azane
CID 175205538
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
2-(3-aminopropylamino)ethanesulfonic acid;azane
CID 174955482
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine
CID 19744980
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid (CID 175486364) is N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid is NCCNCCN.O=S(=O)(O)O.[Cu].
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid?
The InChIKey is NERMWOGSHRLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.Cu.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,1-6H2;;(H2,1,2,3,4).
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid?
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid has a molecular weight of 264.79 g/mol, XLogP of -2.16, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid is sourced from PubChem (CID 175486364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).