chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)

C25H51CrN5 — CID 173268152

IUPACchromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)
SMILESC1=CC(C2CCNCCC/N=C\N2)CCCCCCC1.CC[N-]CC.CC[N-]CC.[Cr+2]
InChIInChI=1S/C17H31N3.2C4H10N.Cr/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17;2*1-3-5-4-2;/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20);2*3-4H2,1-2H3;/q;2*-1;+2
InChIKeyHVFWHLZHSQCQQI-UHFFFAOYSA-N
MW473.71 g/mol
LogP6.07
Rot. Bonds5

About chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)

chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide) (PubChem CID 173268152) has the molecular formula C25H51CrN5 and a molecular weight of 473.71 g/mol. Its IUPAC name is chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide).

Molecular Properties

Compound Namechromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)
PubChem CID173268152
Molecular FormulaC25H51CrN5
Molecular Weight473.71 g/mol
Exact Mass473.35
IUPAC Namechromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)
SMILESC1=CC(C2CCNCCC/N=C\N2)CCCCCCC1.CC[N-]CC.CC[N-]CC.[Cr+2]
InChIInChI=1S/C17H31N3.2C4H10N.Cr/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17;2*1-3-5-4-2;/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20);2*3-4H2,1-2H3;/q;2*-1;+2
InChIKeyHVFWHLZHSQCQQI-UHFFFAOYSA-N
XLogP6.07
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)?
The IUPAC name of chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide) (CID 173268152) is chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide).
What is the SMILES notation for chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)?
The canonical SMILES for chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide) is C1=CC(C2CCNCCC/N=C\N2)CCCCCCC1.CC[N-]CC.CC[N-]CC.[Cr+2].
What is the InChIKey of chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)?
The InChIKey is HVFWHLZHSQCQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3.2C4H10N.Cr/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17;2*1-3-5-4-2;/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20);2*3-4H2,1-2H3;/q;2*-1;+2.
What are the key properties of chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)?
chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide) has a molecular weight of 473.71 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide) is sourced from PubChem (CID 173268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).