(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium

C9H20N2O4+2 — CID 59280329

IUPAC(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium
SMILESCOC(=O)C([NH3+])CCCC([NH3+])C(=O)OC
InChIInChI=1S/C9H18N2O4/c1-14-8(12)6(10)4-3-5-7(11)9(13)15-2/h6-7H,3-5,10-11H2,1-2H3/p+2
InChIKeyUJSUWCBMTJCQAX-UHFFFAOYSA-P
MW220.27 g/mol
LogP-2.28
Rot. Bonds6

About (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium

(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium (PubChem CID 59280329) has the molecular formula C9H20N2O4+2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium.

Molecular Properties

Compound Name(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium
PubChem CID59280329
Molecular FormulaC9H20N2O4+2
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium
SMILESCOC(=O)C([NH3+])CCCC([NH3+])C(=O)OC
InChIInChI=1S/C9H18N2O4/c1-14-8(12)6(10)4-3-5-7(11)9(13)15-2/h6-7H,3-5,10-11H2,1-2H3/p+2
InChIKeyUJSUWCBMTJCQAX-UHFFFAOYSA-P
XLogP-2.28
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-azaniumyl-6-methoxy-6-oxohexyl]-(diaminomethylidene)azanium
CID 9430167
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
[(2R)-3-[[(2R)-2-azaniumyl-3-methoxy-3-oxopropyl]disulfanyl]-1-methoxy-1-oxopropan-2-yl]azanium dichloride
CID 11089122
(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide
CID 119095866
[(2S)-5-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1-oxopentan-2-yl]azanium chloride
CID 10809078
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
[(2S)-5-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl](15N)amino]-1-methoxy-1,5-dioxopentan-2-yl](15N)azanium chloride
CID 10570288
[5-(3-azidopropylamino)-1-methoxy-1,5-dioxopentan-2-yl]azanium chloride
CID 90010411
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506
[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium
CID 6995104

Frequently Asked Questions

What is the IUPAC name of (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium?
The IUPAC name of (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium (CID 59280329) is (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium.
What is the SMILES notation for (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium?
The canonical SMILES for (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium is COC(=O)C([NH3+])CCCC([NH3+])C(=O)OC.
What is the InChIKey of (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium?
The InChIKey is UJSUWCBMTJCQAX-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H18N2O4/c1-14-8(12)6(10)4-3-5-7(11)9(13)15-2/h6-7H,3-5,10-11H2,1-2H3/p+2.
What are the key properties of (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium?
(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium has a molecular weight of 220.27 g/mol, XLogP of -2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium is sourced from PubChem (CID 59280329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).