3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine

C13H26N2NiO3 — CID 175602645

IUPAC3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCC(=O)C(C(C)=O)C(C)=O.CN(C)CCN(C)C.[Ni]
InChIInChI=1S/C7H10O3.C6H16N2.Ni/c1-4(8)7(5(2)9)6(3)10;1-7(2)5-6-8(3)4;/h7H,1-3H3;5-6H2,1-4H3;
InChIKeyYIEFGTOMWDTRCM-UHFFFAOYSA-N
MW317.06 g/mol
LogP0.48
Rot. Bonds6

About 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine

3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 175602645) has the molecular formula C13H26N2NiO3 and a molecular weight of 317.06 g/mol. Its IUPAC name is 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Name3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID175602645
Molecular FormulaC13H26N2NiO3
Molecular Weight317.06 g/mol
Exact Mass316.13
IUPAC Name3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCC(=O)C(C(C)=O)C(C)=O.CN(C)CCN(C)C.[Ni]
InChIInChI=1S/C7H10O3.C6H16N2.Ni/c1-4(8)7(5(2)9)6(3)10;1-7(2)5-6-8(3)4;/h7H,1-3H3;5-6H2,1-4H3;
InChIKeyYIEFGTOMWDTRCM-UHFFFAOYSA-N
XLogP0.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.06
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-acetylpentane-2,4-dione;hafnium
CID 87389102
5-(dimethylamino)-3-fluoropentan-2-one
CID 139565635
(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
5-(dimethylamino)-3-fluoropentan-2-one;ethane
CID 142369430
3-acetylpentane-2,4-dione;propane;titanium(2+)
CID 87128903
3-acetylpentane-2,4-dione;bis(propan-1-ol);titanium
CID 159267821
CID 173338058
CID 173338058
CID 175787026
CID 175787026
CID 88826921
CID 88826921
N-[2-(dimethylamino)ethyl]-2,2-difluoro-N-methylacetamide
CID 103515493
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730

Frequently Asked Questions

What is the IUPAC name of 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine (CID 175602645) is 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine is CC(=O)C(C(C)=O)C(C)=O.CN(C)CCN(C)C.[Ni].
What is the InChIKey of 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is YIEFGTOMWDTRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C6H16N2.Ni/c1-4(8)7(5(2)9)6(3)10;1-7(2)5-6-8(3)4;/h7H,1-3H3;5-6H2,1-4H3;.
What are the key properties of 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine?
3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 317.06 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 175602645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).