7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine

C12H24N2O3 — CID 61427088

IUPAC7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCOCCN(C)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C12H24N2O3/c1-14(5-6-15-2)11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,3-9,13H2,1-2H3
InChIKeyKLSKIHGJDJIFJA-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.19
Rot. Bonds4

About 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine

7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 61427088) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID61427088
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCOCCN(C)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C12H24N2O3/c1-14(5-6-15-2)11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,3-9,13H2,1-2H3
InChIKeyKLSKIHGJDJIFJA-UHFFFAOYSA-N
XLogP0.19
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 61427088) is 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine is COCCN(C)C1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is KLSKIHGJDJIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-14(5-6-15-2)11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 244.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 61427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).