3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine

C11H21NO4 — CID 59894025

IUPAC3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine
SMILESCC1OCC2(CO1)COC(CCCN)OC2
InChIInChI=1S/C11H21NO4/c1-9-13-5-11(6-14-9)7-15-10(16-8-11)3-2-4-12/h9-10H,2-8,12H2,1H3
InChIKeyNMVGOGWAHXABOR-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.48
Rot. Bonds3

About 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine

3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine (PubChem CID 59894025) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine
PubChem CID59894025
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine
SMILESCC1OCC2(CO1)COC(CCCN)OC2
InChIInChI=1S/C11H21NO4/c1-9-13-5-11(6-14-9)7-15-10(16-8-11)3-2-4-12/h9-10H,2-8,12H2,1H3
InChIKeyNMVGOGWAHXABOR-UHFFFAOYSA-N
XLogP0.48
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine?
The IUPAC name of 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine (CID 59894025) is 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine?
The canonical SMILES for 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine is CC1OCC2(CO1)COC(CCCN)OC2.
What is the InChIKey of 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine?
The InChIKey is NMVGOGWAHXABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9-13-5-11(6-14-9)7-15-10(16-8-11)3-2-4-12/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine?
3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propan-1-amine is sourced from PubChem (CID 59894025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).