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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54936727
7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61376926
7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61437064
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639927
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
7-(4-methylpentoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43127758
7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106200696
7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 63206528
methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213

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).