bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)

C34H58MnN4 — CID 162410088

IUPACbis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)
SMILESC/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.C/C(=C/C(C)=N\C1CCCCC1)[N-]C1CCCCC1.[Mn+2]
InChIInChI=1S/2C17H29N2.Mn/c2*1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;/h2*13,16-17H,3-12H2,1-2H3;/q2*-1;+2/b14-13-,19-15+;14-13-,19-15-;
InChIKeyVVRBHZHLCVGPTM-COPCCNOYSA-N
MW577.80 g/mol
LogP10.78
Rot. Bonds8

About bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)

bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+) (PubChem CID 162410088) has the molecular formula C34H58MnN4 and a molecular weight of 577.80 g/mol. Its IUPAC name is bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+).

Molecular Properties

Compound Namebis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)
PubChem CID162410088
Molecular FormulaC34H58MnN4
Molecular Weight577.80 g/mol
Exact Mass577.40
IUPAC Namebis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)
SMILESC/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.C/C(=C/C(C)=N\C1CCCCC1)[N-]C1CCCCC1.[Mn+2]
InChIInChI=1S/2C17H29N2.Mn/c2*1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;/h2*13,16-17H,3-12H2,1-2H3;/q2*-1;+2/b14-13-,19-15+;14-13-,19-15-;
InChIKeyVVRBHZHLCVGPTM-COPCCNOYSA-N
XLogP10.78
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.80
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)?
The IUPAC name of bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+) (CID 162410088) is bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+).
What is the SMILES notation for bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)?
The canonical SMILES for bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+) is C/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.C/C(=C/C(C)=N\C1CCCCC1)[N-]C1CCCCC1.[Mn+2].
What is the InChIKey of bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)?
The InChIKey is VVRBHZHLCVGPTM-COPCCNOYSA-N. The full InChI is InChI=1S/2C17H29N2.Mn/c2*1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;/h2*13,16-17H,3-12H2,1-2H3;/q2*-1;+2/b14-13-,19-15+;14-13-,19-15-;.
What are the key properties of bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+)?
bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+) has a molecular weight of 577.80 g/mol, XLogP of 10.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide);manganese(2+) is sourced from PubChem (CID 162410088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).