bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)

C23H40N3Yb+2 — CID 23231140

IUPACbis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)
SMILESC1CCCC1.C1CCCC1.CC(C)/N=C(\[N-]C(C)C)Nc1ccccc1.[Yb+3]
InChIInChI=1S/C13H20N3.2C5H10.Yb/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12;2*1-2-4-5-3-1;/h5-11H,1-4H3,(H-,14,15,16);2*1-5H2;/q-1;;;+3
InChIKeyRNBDICBBWTZWFG-UHFFFAOYSA-N
MW531.63 g/mol
LogP7.55
Rot. Bonds3

About bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)

bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+) (PubChem CID 23231140) has the molecular formula C23H40N3Yb+2 and a molecular weight of 531.63 g/mol. Its IUPAC name is bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+).

Molecular Properties

Compound Namebis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)
PubChem CID23231140
Molecular FormulaC23H40N3Yb+2
Molecular Weight531.63 g/mol
Exact Mass532.26
IUPAC Namebis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)
SMILESC1CCCC1.C1CCCC1.CC(C)/N=C(\[N-]C(C)C)Nc1ccccc1.[Yb+3]
InChIInChI=1S/C13H20N3.2C5H10.Yb/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12;2*1-2-4-5-3-1;/h5-11H,1-4H3,(H-,14,15,16);2*1-5H2;/q-1;;;+3
InChIKeyRNBDICBBWTZWFG-UHFFFAOYSA-N
XLogP7.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.63
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)?
The IUPAC name of bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+) (CID 23231140) is bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+).
What is the SMILES notation for bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)?
The canonical SMILES for bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+) is C1CCCC1.C1CCCC1.CC(C)/N=C(\[N-]C(C)C)Nc1ccccc1.[Yb+3].
What is the InChIKey of bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)?
The InChIKey is RNBDICBBWTZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3.2C5H10.Yb/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12;2*1-2-4-5-3-1;/h5-11H,1-4H3,(H-,14,15,16);2*1-5H2;/q-1;;;+3.
What are the key properties of bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)?
bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+) has a molecular weight of 531.63 g/mol, XLogP of 7.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+) is sourced from PubChem (CID 23231140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).