cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate

C32H72ClCoN6O8 — CID 139133515

IUPACcobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate
SMILESCCCCCCCCCCCCCCNCCN.CCCCCCCCCCCCCCNCCN.O=N[O-].O=N[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C16H36N2.ClHO4.Co.2HNO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17;2-1(3,4)5;;2*2-1-3/h2*18H,2-17H2,1H3;(H,2,3,4,5);;2*(H,2,3)/q;;;+3;;/p-3
InChIKeyOXORSOZIJCIXRZ-UHFFFAOYSA-K
MW763.35 g/mol
LogP4.21
Rot. Bonds30

About cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate

cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate (PubChem CID 139133515) has the molecular formula C32H72ClCoN6O8 and a molecular weight of 763.35 g/mol. Its IUPAC name is cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate.

Molecular Properties

Compound Namecobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate
PubChem CID139133515
Molecular FormulaC32H72ClCoN6O8
Molecular Weight763.35 g/mol
Exact Mass762.44
IUPAC Namecobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate
SMILESCCCCCCCCCCCCCCNCCN.CCCCCCCCCCCCCCNCCN.O=N[O-].O=N[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C16H36N2.ClHO4.Co.2HNO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17;2-1(3,4)5;;2*2-1-3/h2*18H,2-17H2,1H3;(H,2,3,4,5);;2*(H,2,3)/q;;;+3;;/p-3
InChIKeyOXORSOZIJCIXRZ-UHFFFAOYSA-K
XLogP4.21
TPSA273.32 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.35
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
2-aminoethanol;N-octyloctan-1-amine
CID 158421885
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate?
The IUPAC name of cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate (CID 139133515) is cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate.
What is the SMILES notation for cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate?
The canonical SMILES for cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate is CCCCCCCCCCCCCCNCCN.CCCCCCCCCCCCCCNCCN.O=N[O-].O=N[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate?
The InChIKey is OXORSOZIJCIXRZ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C16H36N2.ClHO4.Co.2HNO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17;2-1(3,4)5;;2*2-1-3/h2*18H,2-17H2,1H3;(H,2,3,4,5);;2*(H,2,3)/q;;;+3;;/p-3.
What are the key properties of cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate?
cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate has a molecular weight of 763.35 g/mol, XLogP of 4.21, 30 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate is sourced from PubChem (CID 139133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).