(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine

C11H21NO2 — CID 82777122

IUPAC(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
SMILESCC1CCCC2(CC1)OCC(CN)O2
InChIInChI=1S/C11H21NO2/c1-9-3-2-5-11(6-4-9)13-8-10(7-12)14-11/h9-10H,2-8,12H2,1H3
InChIKeyAOVMFIDFMLTSMA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.66
Rot. Bonds1

About (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine

(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine (PubChem CID 82777122) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine.

Molecular Properties

Compound Name(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
PubChem CID82777122
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
SMILESCC1CCCC2(CC1)OCC(CN)O2
InChIInChI=1S/C11H21NO2/c1-9-3-2-5-11(6-4-9)13-8-10(7-12)14-11/h9-10H,2-8,12H2,1H3
InChIKeyAOVMFIDFMLTSMA-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine?
The IUPAC name of (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine (CID 82777122) is (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine.
What is the SMILES notation for (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine?
The canonical SMILES for (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine is CC1CCCC2(CC1)OCC(CN)O2.
What is the InChIKey of (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine?
The InChIKey is AOVMFIDFMLTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-3-2-5-11(6-4-9)13-8-10(7-12)14-11/h9-10H,2-8,12H2,1H3.
What are the key properties of (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine?
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine is sourced from PubChem (CID 82777122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).