[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine

C8H23N6O2- — CID 159379820

IUPAC[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine
SMILESCCN(CCN)[N+]([O-])=N[O-].CCNCCN
InChIInChI=1S/C4H12N4O2.C4H12N2/c1-2-7(4-3-5)8(10)6-9;1-2-6-4-3-5/h9H,2-5H2,1H3;6H,2-5H2,1H3/p-1
InChIKeyBSUZUPSNKYRJFD-UHFFFAOYSA-M
MW235.31 g/mol
LogP-0.80
Rot. Bonds7

About [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine

[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine (PubChem CID 159379820) has the molecular formula C8H23N6O2- and a molecular weight of 235.31 g/mol. Its IUPAC name is [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine.

Molecular Properties

Compound Name[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine
PubChem CID159379820
Molecular FormulaC8H23N6O2-
Molecular Weight235.31 g/mol
Exact Mass235.19
IUPAC Name[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine
SMILESCCN(CCN)[N+]([O-])=N[O-].CCNCCN
InChIInChI=1S/C4H12N4O2.C4H12N2/c1-2-7(4-3-5)8(10)6-9;1-2-6-4-3-5/h9H,2-5H2,1H3;6H,2-5H2,1H3/p-1
InChIKeyBSUZUPSNKYRJFD-UHFFFAOYSA-M
XLogP-0.80
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
CID 135512446
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-[2-[2-[2-aminoethyl-[2-(ethylamino)ethyl]amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 145374595
N'-ethylethane-1,2-diamine;piperazine
CID 157289891
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium
CID 136854533
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
CID 135503538
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;chloroethane;sulfanylidenephosphane
CID 159016160
N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine
CID 87673451
N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide
CID 87376084

Frequently Asked Questions

What is the IUPAC name of [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine?
The IUPAC name of [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine (CID 159379820) is [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine.
What is the SMILES notation for [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine?
The canonical SMILES for [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine is CCN(CCN)[N+]([O-])=N[O-].CCNCCN.
What is the InChIKey of [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine?
The InChIKey is BSUZUPSNKYRJFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N4O2.C4H12N2/c1-2-7(4-3-5)8(10)6-9;1-2-6-4-3-5/h9H,2-5H2,1H3;6H,2-5H2,1H3/p-1.
What are the key properties of [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine?
[2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine has a molecular weight of 235.31 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethyl(ethyl)amino]-oxido-oxidoiminoazanium;N'-ethylethane-1,2-diamine is sourced from PubChem (CID 159379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).