carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)

C10H22N2Y10-6 — CID 58298914

IUPACcarbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)
SMILES[CH2-]/C(C)=N/N=C(/[CH2-])C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H10N2.4CH3.10Y/c1-5(2)7-8-6(3)4;;;;;;;;;;;;;;/h1,3H2,2,4H3;4*1H3;;;;;;;;;;/q-2;4*-1;;;;;;;;;;/b7-5-,8-6-;;;;;;;;;;;;;;
InChIKeyMDDLUFMDPYDYMI-NRGNASRWSA-N
MW1059.36 g/mol
LogP3.27
Rot. Bonds1

About carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)

carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium) (PubChem CID 58298914) has the molecular formula C10H22N2Y10-6 and a molecular weight of 1059.36 g/mol. Its IUPAC name is carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium).

Molecular Properties

Compound Namecarbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)
PubChem CID58298914
Molecular FormulaC10H22N2Y10-6
Molecular Weight1059.36 g/mol
Exact Mass1059.24
IUPAC Namecarbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)
SMILES[CH2-]/C(C)=N/N=C(/[CH2-])C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H10N2.4CH3.10Y/c1-5(2)7-8-6(3)4;;;;;;;;;;;;;;/h1,3H2,2,4H3;4*1H3;;;;;;;;;;/q-2;4*-1;;;;;;;;;;/b7-5-,8-6-;;;;;;;;;;;;;;
InChIKeyMDDLUFMDPYDYMI-NRGNASRWSA-N
XLogP3.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001059.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)?
The IUPAC name of carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium) (CID 58298914) is carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium).
What is the SMILES notation for carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)?
The canonical SMILES for carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium) is [CH2-]/C(C)=N/N=C(/[CH2-])C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)?
The InChIKey is MDDLUFMDPYDYMI-NRGNASRWSA-N. The full InChI is InChI=1S/C6H10N2.4CH3.10Y/c1-5(2)7-8-6(3)4;;;;;;;;;;;;;;/h1,3H2,2,4H3;4*1H3;;;;;;;;;;/q-2;4*-1;;;;;;;;;;/b7-5-,8-6-;;;;;;;;;;;;;;.
What are the key properties of carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)?
carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium) has a molecular weight of 1059.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium) is sourced from PubChem (CID 58298914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).