[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)

C20H28MnN2O2 — CID 164541107

IUPAC[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)
SMILES[H]/[C-]=C(\CCN(C(C)C)C(C)C)c1[c-]cccc1OC(=O)C/C(C)=N/[H].[Mn+2]
InChIInChI=1S/C20H28N2O2.Mn/c1-14(2)22(15(3)4)12-11-16(5)18-9-7-8-10-19(18)24-20(23)13-17(6)21;/h5,7-8,10,14-15,21H,11-13H2,1-4,6H3;/q-2;+2/b21-17+;
InChIKeyUQSUJSHEPLJPRR-DIRYEVLESA-N
MW383.39 g/mol
LogP4.14
Rot. Bonds9

About [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)

[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+) (PubChem CID 164541107) has the molecular formula C20H28MnN2O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+).

Molecular Properties

Compound Name[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)
PubChem CID164541107
Molecular FormulaC20H28MnN2O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)
SMILES[H]/[C-]=C(\CCN(C(C)C)C(C)C)c1[c-]cccc1OC(=O)C/C(C)=N/[H].[Mn+2]
InChIInChI=1S/C20H28N2O2.Mn/c1-14(2)22(15(3)4)12-11-16(5)18-9-7-8-10-19(18)24-20(23)13-17(6)21;/h5,7-8,10,14-15,21H,11-13H2,1-4,6H3;/q-2;+2/b21-17+;
InChIKeyUQSUJSHEPLJPRR-DIRYEVLESA-N
XLogP4.14
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)?
The IUPAC name of [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+) (CID 164541107) is [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+).
What is the SMILES notation for [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)?
The canonical SMILES for [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+) is [H]/[C-]=C(\CCN(C(C)C)C(C)C)c1[c-]cccc1OC(=O)C/C(C)=N/[H].[Mn+2].
What is the InChIKey of [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)?
The InChIKey is UQSUJSHEPLJPRR-DIRYEVLESA-N. The full InChI is InChI=1S/C20H28N2O2.Mn/c1-14(2)22(15(3)4)12-11-16(5)18-9-7-8-10-19(18)24-20(23)13-17(6)21;/h5,7-8,10,14-15,21H,11-13H2,1-4,6H3;/q-2;+2/b21-17+;.
What are the key properties of [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+)?
[2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+) has a molecular weight of 383.39 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[di(propan-2-yl)amino]but-1-en-2-yl]benzene-3-id-1-yl] 3-iminobutanoate;manganese(2+) is sourced from PubChem (CID 164541107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).