bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper

C30H52Cu2I2N4 — CID 24805328

IUPACbis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[Cu]I.[Cu]I
InChIInChI=1S/2C15H26N2.2Cu.2HI/c2*1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;;;;/h2*12-15H,1-11H2;;;2*1H/q;;2*+1;;/p-2/t2*12-,13-,14-,15+;;;;/m00..../s1
InChIKeyAZDZZMSGMGNVIB-HKXRFATNSA-L
MW849.67 g/mol
LogP6.46
Rot. Bonds

About bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper

bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper (PubChem CID 24805328) has the molecular formula C30H52Cu2I2N4 and a molecular weight of 849.67 g/mol. Its IUPAC name is bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper.

Molecular Properties

Compound Namebis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
PubChem CID24805328
Molecular FormulaC30H52Cu2I2N4
Molecular Weight849.67 g/mol
Exact Mass848.09
IUPAC Namebis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[Cu]I.[Cu]I
InChIInChI=1S/2C15H26N2.2Cu.2HI/c2*1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;;;;/h2*12-15H,1-11H2;;;2*1H/q;;2*+1;;/p-2/t2*12-,13-,14-,15+;;;;/m00..../s1
InChIKeyAZDZZMSGMGNVIB-HKXRFATNSA-L
XLogP6.46
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.67
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6-thione
CID 11311607
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene
CID 91753418
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652

Frequently Asked Questions

What is the IUPAC name of bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper?
The IUPAC name of bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper (CID 24805328) is bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper.
What is the SMILES notation for bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper?
The canonical SMILES for bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper is C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[Cu]I.[Cu]I.
What is the InChIKey of bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper?
The InChIKey is AZDZZMSGMGNVIB-HKXRFATNSA-L. The full InChI is InChI=1S/2C15H26N2.2Cu.2HI/c2*1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;;;;/h2*12-15H,1-11H2;;;2*1H/q;;2*+1;;/p-2/t2*12-,13-,14-,15+;;;;/m00..../s1.
What are the key properties of bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper?
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper has a molecular weight of 849.67 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper is sourced from PubChem (CID 24805328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).