5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione

C18H34N4O2 — CID 10712077

IUPAC5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione
SMILESCCCN1CCCN2CCN(CCCN(CCC)CC1)C(=O)C2=O
InChIInChI=1S/C18H34N4O2/c1-3-7-19-9-5-11-21-15-16-22(18(24)17(21)23)12-6-10-20(8-4-2)14-13-19/h3-16H2,1-2H3
InChIKeyNGCVRLSWZBBWNE-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.88
Rot. Bonds4

About 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione

5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione (PubChem CID 10712077) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione.

Molecular Properties

Compound Name5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione
PubChem CID10712077
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione
SMILESCCCN1CCCN2CCN(CCCN(CCC)CC1)C(=O)C2=O
InChIInChI=1S/C18H34N4O2/c1-3-7-19-9-5-11-21-15-16-22(18(24)17(21)23)12-6-10-20(8-4-2)14-13-19/h3-16H2,1-2H3
InChIKeyNGCVRLSWZBBWNE-UHFFFAOYSA-N
XLogP0.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrakis(N,N-diethylacetamide)
CID 14434737
1,4,8,11-Tetrakis(dimethylaminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
CID 30443056
1-Cyclopropyl-4-[3-(diethylamino)propyl]piperazine-2,5-dione
CID 44399869
1,4-Dibutylpiperazine-2,5-dione
CID 19902955
1,4-Dipropylpiperazine-2,5-dione
CID 20186172
2-(Dimethylamino)-1-(4-propylpiperazin-1-yl)ethanone
CID 45826320
Piperazine, 1,4-bisacetamide, N,N'-bis(tert-butyl)-N,N'-bis(2-cyanoethyl)-
CID 622133
1,5,8,12-Tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone
CID 10686241
N,N'-Diisobutyl-2,5-dioxopiperazin
CID 58851024
N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
CID 178103648
N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide
CID 71930587
Oxalic acid, diamide, N,N,N',N'-tetrabutyl-
CID 3417535

Frequently Asked Questions

What is the IUPAC name of 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione?
The IUPAC name of 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione (CID 10712077) is 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione.
What is the SMILES notation for 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione?
The canonical SMILES for 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione is CCCN1CCCN2CCN(CCCN(CCC)CC1)C(=O)C2=O.
What is the InChIKey of 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione?
The InChIKey is NGCVRLSWZBBWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-3-7-19-9-5-11-21-15-16-22(18(24)17(21)23)12-6-10-20(8-4-2)14-13-19/h3-16H2,1-2H3.
What are the key properties of 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione?
5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione has a molecular weight of 338.50 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione is sourced from PubChem (CID 10712077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).