8-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C9H17NO2 — CID 21134196

IUPAC8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7,10H2,1H3
InChIKeyRTNWEIURRWNLEA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.02
Rot. Bonds

About 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine

8-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 21134196) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID21134196
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7,10H2,1H3
InChIKeyRTNWEIURRWNLEA-UHFFFAOYSA-N
XLogP1.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine 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[4.5]decan-8-amine?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 21134196) is 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CC1(N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is RTNWEIURRWNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7,10H2,1H3.
What are the key properties of 8-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 171.24 g/mol, XLogP of 1.02, 0 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[4.5]decan-8-amine is sourced from PubChem (CID 21134196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).