dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)

C22H50Cu2N6 — CID 167345030

IUPACdicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)
SMILESCCC(C)[N-]C([N-]C(C)CC)N(C)C.CCC(C)[N-]C([N-]C(C)CC)N(C)C.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H25N3.2Cu/c2*1-7-9(3)12-11(14(5)6)13-10(4)8-2;;/h2*9-11H,7-8H2,1-6H3;;/q2*-2;2*+2
InChIKeyLPGKUIIBQAMMQN-UHFFFAOYSA-N
MW525.78 g/mol
LogP6.35
Rot. Bonds14

About dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)

dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide) (PubChem CID 167345030) has the molecular formula C22H50Cu2N6 and a molecular weight of 525.78 g/mol. Its IUPAC name is dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide).

Molecular Properties

Compound Namedicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)
PubChem CID167345030
Molecular FormulaC22H50Cu2N6
Molecular Weight525.78 g/mol
Exact Mass524.27
IUPAC Namedicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)
SMILESCCC(C)[N-]C([N-]C(C)CC)N(C)C.CCC(C)[N-]C([N-]C(C)CC)N(C)C.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H25N3.2Cu/c2*1-7-9(3)12-11(14(5)6)13-10(4)8-2;;/h2*9-11H,7-8H2,1-6H3;;/q2*-2;2*+2
InChIKeyLPGKUIIBQAMMQN-UHFFFAOYSA-N
XLogP6.35
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.78
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
CID 168728760
butan-2-yl(1-propan-2-ylazanidylethyl)azanide;carbanide;yttrium
CID 167346325
1-fluoro-N,N-dimethylpropan-2-amine
CID 123355722
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
CID 23505022
(2R,3R)-2-(dimethylamino)pentan-3-ol
CID 59946424
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
CID 168728711
N,N-dipropylbutan-2-amine
CID 524229
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
1-methoxy-N,N,2-trimethylbutan-1-amine
CID 91572935

Frequently Asked Questions

What is the IUPAC name of dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)?
The IUPAC name of dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide) (CID 167345030) is dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide).
What is the SMILES notation for dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)?
The canonical SMILES for dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide) is CCC(C)[N-]C([N-]C(C)CC)N(C)C.CCC(C)[N-]C([N-]C(C)CC)N(C)C.[Cu+2].[Cu+2].
What is the InChIKey of dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)?
The InChIKey is LPGKUIIBQAMMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H25N3.2Cu/c2*1-7-9(3)12-11(14(5)6)13-10(4)8-2;;/h2*9-11H,7-8H2,1-6H3;;/q2*-2;2*+2.
What are the key properties of dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)?
dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide) has a molecular weight of 525.78 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide) is sourced from PubChem (CID 167345030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).