9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine

C8H15NO4 — CID 129057700

IUPAC9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine
SMILESCC1COC2(OC1)OCC(N)CO2
InChIInChI=1S/C8H15NO4/c1-6-2-10-8(11-3-6)12-4-7(9)5-13-8/h6-7H,2-5,9H2,1H3
InChIKeyPEJSLIPHLCOXSD-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.35
Rot. Bonds

About 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine

9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine (PubChem CID 129057700) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine.

Molecular Properties

Compound Name9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine
PubChem CID129057700
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine
SMILESCC1COC2(OC1)OCC(N)CO2
InChIInChI=1S/C8H15NO4/c1-6-2-10-8(11-3-6)12-4-7(9)5-13-8/h6-7H,2-5,9H2,1H3
InChIKeyPEJSLIPHLCOXSD-UHFFFAOYSA-N
XLogP-0.35
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine?
The IUPAC name of 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine (CID 129057700) is 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine.
What is the SMILES notation for 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine?
The canonical SMILES for 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine is CC1COC2(OC1)OCC(N)CO2.
What is the InChIKey of 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine?
The InChIKey is PEJSLIPHLCOXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6-2-10-8(11-3-6)12-4-7(9)5-13-8/h6-7H,2-5,9H2,1H3.
What are the key properties of 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine?
9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine has a molecular weight of 189.21 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,5,7,11-tetraoxaspiro[5.5]undecan-3-amine is sourced from PubChem (CID 129057700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).