N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite

C8H22CoN6O4-2 — CID 6389182

IUPACN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite
SMILESNCCCNCCNCCCN.O=N[O-].O=N[O-].[Co]
InChIInChI=1S/C8H22N4.Co.2HNO2/c9-3-1-5-11-7-8-12-6-2-4-10;;2*2-1-3/h11-12H,1-10H2;;2*(H,2,3)/p-2
InChIKeyWFPGYSMWOQGCKY-UHFFFAOYSA-L
MW325.24 g/mol
LogP-0.64
Rot. Bonds9

About N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite

N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite (PubChem CID 6389182) has the molecular formula C8H22CoN6O4-2 and a molecular weight of 325.24 g/mol. Its IUPAC name is N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite.

Molecular Properties

Compound NameN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite
PubChem CID6389182
Molecular FormulaC8H22CoN6O4-2
Molecular Weight325.24 g/mol
Exact Mass325.10
IUPAC NameN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite
SMILESNCCCNCCNCCCN.O=N[O-].O=N[O-].[Co]
InChIInChI=1S/C8H22N4.Co.2HNO2/c9-3-1-5-11-7-8-12-6-2-4-10;;2*2-1-3/h11-12H,1-10H2;;2*(H,2,3)/p-2
InChIKeyWFPGYSMWOQGCKY-UHFFFAOYSA-L
XLogP-0.64
TPSA181.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
4-(3-aminopropylamino)butanal
CID 19913541
cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate
CID 139133515
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite?
The IUPAC name of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite (CID 6389182) is N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite.
What is the SMILES notation for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite?
The canonical SMILES for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite is NCCCNCCNCCCN.O=N[O-].O=N[O-].[Co].
What is the InChIKey of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite?
The InChIKey is WFPGYSMWOQGCKY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H22N4.Co.2HNO2/c9-3-1-5-11-7-8-12-6-2-4-10;;2*2-1-3/h11-12H,1-10H2;;2*(H,2,3)/p-2.
What are the key properties of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite?
N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite has a molecular weight of 325.24 g/mol, XLogP of -0.64, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;cobalt;dinitrite is sourced from PubChem (CID 6389182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).