carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine

C8H15NO4 — CID 160687589

IUPACcarbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine
SMILESCNC1COC(C)(C)OC1.O=C=O
InChIInChI=1S/C7H15NO2.CO2/c1-7(2)9-4-6(8-3)5-10-7;2-1-3/h6,8H,4-5H2,1-3H3;
InChIKeyROYVSIHUORGKCU-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.23
Rot. Bonds1

About carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine

carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine (PubChem CID 160687589) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Namecarbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine
PubChem CID160687589
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namecarbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine
SMILESCNC1COC(C)(C)OC1.O=C=O
InChIInChI=1S/C7H15NO2.CO2/c1-7(2)9-4-6(8-3)5-10-7;2-1-3/h6,8H,4-5H2,1-3H3;
InChIKeyROYVSIHUORGKCU-UHFFFAOYSA-N
XLogP-0.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine?
The IUPAC name of carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine (CID 160687589) is carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine?
The canonical SMILES for carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine is CNC1COC(C)(C)OC1.O=C=O.
What is the InChIKey of carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine?
The InChIKey is ROYVSIHUORGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.CO2/c1-7(2)9-4-6(8-3)5-10-7;2-1-3/h6,8H,4-5H2,1-3H3;.
What are the key properties of carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine?
carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine has a molecular weight of 189.21 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 160687589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).