bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)

C28H44CuN3 — CID 66809160

IUPACbis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)
SMILESCC(C)c1cccc(C(C)C)c1C(N)C[N-]CC(N)c1c(C(C)C)cccc1C(C)C.[Cu+]
InChIInChI=1S/C28H44N3.Cu/c1-17(2)21-11-9-12-22(18(3)4)27(21)25(29)15-31-16-26(30)28-23(19(5)6)13-10-14-24(28)20(7)8;/h9-14,17-20,25-26H,15-16,29-30H2,1-8H3;/q-1;+1
InChIKeyDOUAAWFLKINOOQ-UHFFFAOYSA-N
MW486.23 g/mol
LogP7.25
Rot. Bonds10

About bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)

bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+) (PubChem CID 66809160) has the molecular formula C28H44CuN3 and a molecular weight of 486.23 g/mol. Its IUPAC name is bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+).

Molecular Properties

Compound Namebis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)
PubChem CID66809160
Molecular FormulaC28H44CuN3
Molecular Weight486.23 g/mol
Exact Mass485.28
IUPAC Namebis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)
SMILESCC(C)c1cccc(C(C)C)c1C(N)C[N-]CC(N)c1c(C(C)C)cccc1C(C)C.[Cu+]
InChIInChI=1S/C28H44N3.Cu/c1-17(2)21-11-9-12-22(18(3)4)27(21)25(29)15-31-16-26(30)28-23(19(5)6)13-10-14-24(28)20(7)8;/h9-14,17-20,25-26H,15-16,29-30H2,1-8H3;/q-1;+1
InChIKeyDOUAAWFLKINOOQ-UHFFFAOYSA-N
XLogP7.25
TPSA66.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.23
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)?
The IUPAC name of bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+) (CID 66809160) is bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+).
What is the SMILES notation for bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)?
The canonical SMILES for bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+) is CC(C)c1cccc(C(C)C)c1C(N)C[N-]CC(N)c1c(C(C)C)cccc1C(C)C.[Cu+].
What is the InChIKey of bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)?
The InChIKey is DOUAAWFLKINOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N3.Cu/c1-17(2)21-11-9-12-22(18(3)4)27(21)25(29)15-31-16-26(30)28-23(19(5)6)13-10-14-24(28)20(7)8;/h9-14,17-20,25-26H,15-16,29-30H2,1-8H3;/q-1;+1.
What are the key properties of bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)?
bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+) has a molecular weight of 486.23 g/mol, XLogP of 7.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+) is sourced from PubChem (CID 66809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).