9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine

C10H19NO2 — CID 58382607

IUPAC9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCC1(N)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H19NO2/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10/h2-8,11H2,1H3
InChIKeyLTPFQVSDUCOSPP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.41
Rot. Bonds

About 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine

9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine (PubChem CID 58382607) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
PubChem CID58382607
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCC1(N)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H19NO2/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10/h2-8,11H2,1H3
InChIKeyLTPFQVSDUCOSPP-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The IUPAC name of 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine (CID 58382607) is 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The canonical SMILES for 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine is CC1(N)CCC2(CC1)OCCCO2.
What is the InChIKey of 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The InChIKey is LTPFQVSDUCOSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10/h2-8,11H2,1H3.
What are the key properties of 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine has a molecular weight of 185.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 58382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).