1,7-diaza-4,10-diazanidacyclododecane;protactinium

C8H18N4Pa2-2 — CID 167506231

IUPAC1,7-diaza-4,10-diazanidacyclododecane;protactinium
SMILESC1CNCC[N-]CCNCC[N-]1.[Pa].[Pa]
InChIInChI=1S/C8H18N4.2Pa/c1-2-10-5-6-12-8-7-11-4-3-9-1;;/h9,12H,1-8H2;;/q-2;;
InChIKeyKWDVNABZRXCPLZ-UHFFFAOYSA-N
MW632.33 g/mol
LogP-0.07
Rot. Bonds

About 1,7-diaza-4,10-diazanidacyclododecane;protactinium

1,7-diaza-4,10-diazanidacyclododecane;protactinium (PubChem CID 167506231) has the molecular formula C8H18N4Pa2-2 and a molecular weight of 632.33 g/mol. Its IUPAC name is 1,7-diaza-4,10-diazanidacyclododecane;protactinium.

Molecular Properties

Compound Name1,7-diaza-4,10-diazanidacyclododecane;protactinium
PubChem CID167506231
Molecular FormulaC8H18N4Pa2-2
Molecular Weight632.33 g/mol
Exact Mass632.23
IUPAC Name1,7-diaza-4,10-diazanidacyclododecane;protactinium
SMILESC1CNCC[N-]CCNCC[N-]1.[Pa].[Pa]
InChIInChI=1S/C8H18N4.2Pa/c1-2-10-5-6-12-8-7-11-4-3-9-1;;/h9,12H,1-8H2;;/q-2;;
InChIKeyKWDVNABZRXCPLZ-UHFFFAOYSA-N
XLogP-0.07
TPSA52.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 153379590
dichlorotitanium;piperazin-4-ide
CID 173283103
carbanide;ethanone;titanium;1,4,7-triaza-10-azanidacyclododecane;trihydrochloride
CID 173283229
1-aza-5-azanidacyclooctane;carbanide;titanium(3+);trihydrochloride
CID 173283458
1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
CID 161028196
carbanide;titanium;1,5,9-triaza-13-azanidacyclohexadecane;trihydrochloride
CID 173282643
1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
CID 22113549
carbanide;1,5-diaza-9-azanidacyclododecane;titanium(3+);trihydrochloride
CID 173283467
dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane
CID 139802939
aziridine;polane
CID 173008983
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
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CID 157452576

Frequently Asked Questions

What is the IUPAC name of 1,7-diaza-4,10-diazanidacyclododecane;protactinium?
The IUPAC name of 1,7-diaza-4,10-diazanidacyclododecane;protactinium (CID 167506231) is 1,7-diaza-4,10-diazanidacyclododecane;protactinium.
What is the SMILES notation for 1,7-diaza-4,10-diazanidacyclododecane;protactinium?
The canonical SMILES for 1,7-diaza-4,10-diazanidacyclododecane;protactinium is C1CNCC[N-]CCNCC[N-]1.[Pa].[Pa].
What is the InChIKey of 1,7-diaza-4,10-diazanidacyclododecane;protactinium?
The InChIKey is KWDVNABZRXCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.2Pa/c1-2-10-5-6-12-8-7-11-4-3-9-1;;/h9,12H,1-8H2;;/q-2;;.
What are the key properties of 1,7-diaza-4,10-diazanidacyclododecane;protactinium?
1,7-diaza-4,10-diazanidacyclododecane;protactinium has a molecular weight of 632.33 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diaza-4,10-diazanidacyclododecane;protactinium is sourced from PubChem (CID 167506231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).