[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)

C29H46Br2CoN3 — CID 66808797

IUPAC[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)
SMILESBr[Co+]Br.CC(C)c1cccc(C(C)C)c1C(N)CC[N-]CC(N)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H46N3.2BrH.Co/c1-18(2)22-11-9-12-23(19(3)4)28(22)26(30)15-16-32-17-27(31)29-24(20(5)6)13-10-14-25(29)21(7)8;;;/h9-14,18-21,26-27H,15-17,30-31H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyRGRCUWKYMABJJL-UHFFFAOYSA-L
MW655.45 g/mol
LogP9.33
Rot. Bonds11

About [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)

[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+) (PubChem CID 66808797) has the molecular formula C29H46Br2CoN3 and a molecular weight of 655.45 g/mol. Its IUPAC name is [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+).

Molecular Properties

Compound Name[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)
PubChem CID66808797
Molecular FormulaC29H46Br2CoN3
Molecular Weight655.45 g/mol
Exact Mass653.14
IUPAC Name[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)
SMILESBr[Co+]Br.CC(C)c1cccc(C(C)C)c1C(N)CC[N-]CC(N)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H46N3.2BrH.Co/c1-18(2)22-11-9-12-23(19(3)4)28(22)26(30)15-16-32-17-27(31)29-24(20(5)6)13-10-14-25(29)21(7)8;;;/h9-14,18-21,26-27H,15-17,30-31H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyRGRCUWKYMABJJL-UHFFFAOYSA-L
XLogP9.33
TPSA66.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.45
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)?
The IUPAC name of [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+) (CID 66808797) is [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+).
What is the SMILES notation for [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)?
The canonical SMILES for [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+) is Br[Co+]Br.CC(C)c1cccc(C(C)C)c1C(N)CC[N-]CC(N)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)?
The InChIKey is RGRCUWKYMABJJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H46N3.2BrH.Co/c1-18(2)22-11-9-12-23(19(3)4)28(22)26(30)15-16-32-17-27(31)29-24(20(5)6)13-10-14-25(29)21(7)8;;;/h9-14,18-21,26-27H,15-17,30-31H2,1-8H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)?
[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+) has a molecular weight of 655.45 g/mol, XLogP of 9.33, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+) is sourced from PubChem (CID 66808797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).