bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)

C18H32N6Zr — CID 139151044

IUPACbis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)
SMILESCN(CCN(C)Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C14H20N4.2C2H6N.Zr/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14;2*1-3-2;/h3-8H,9-12H2,1-2H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyLVSTWJCJALEHGD-UHFFFAOYSA-N
MW423.72 g/mol
LogP2.40
Rot. Bonds7

About bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)

bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) (PubChem CID 139151044) has the molecular formula C18H32N6Zr and a molecular weight of 423.72 g/mol. Its IUPAC name is bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)
PubChem CID139151044
Molecular FormulaC18H32N6Zr
Molecular Weight423.72 g/mol
Exact Mass422.17
IUPAC Namebis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)
SMILESCN(CCN(C)Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C14H20N4.2C2H6N.Zr/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14;2*1-3-2;/h3-8H,9-12H2,1-2H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyLVSTWJCJALEHGD-UHFFFAOYSA-N
XLogP2.40
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.72
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) with MolForge

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Related Compounds

bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
CID 11232528
bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)
CID 11349560
(R,R)-Mn(PDP)(MeCN)2(SbF6)2
CID 135121905
(R,R)-Fe(PDP)(MeCN)2(SbF6)2
CID 135121906
benzene;bis(N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine);zirconium(4+)
CID 139063490
[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-kappa^4^N]iron(II)
CID 139070385
Ti(2-iminoimidazolinide)(tpa)
CID 139130009
[Zr(N2NN')(NMe2)2]
CID 139132885
Hf(dpma)2.CH2Cl2
CID 139133386
Molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate
CID 139133551
[di(pyrrolyl-alpha-methyl)methylamine]Bis(dimethylamido)titanium(IV)
CID 139133593
N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;phenylazanide;zirconium(4+)
CID 139151045

Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)?
The IUPAC name of bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) (CID 139151044) is bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+).
What is the SMILES notation for bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)?
The canonical SMILES for bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) is CN(CCN(C)Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Zr+4].
What is the InChIKey of bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)?
The InChIKey is LVSTWJCJALEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.2C2H6N.Zr/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14;2*1-3-2;/h3-8H,9-12H2,1-2H3;2*1-2H3;/q-2;2*-1;+4.
What are the key properties of bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)?
bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) has a molecular weight of 423.72 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+) is sourced from PubChem (CID 139151044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).