(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine

C10H19NO2 — CID 55263052

IUPAC(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
SMILESCC1CCC2(CC1)OCC(CN)O2
InChIInChI=1S/C10H19NO2/c1-8-2-4-10(5-3-8)12-7-9(6-11)13-10/h8-9H,2-7,11H2,1H3
InChIKeyKBZIHOVRYVMRDO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.27
Rot. Bonds1

About (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine

(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine (PubChem CID 55263052) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine.

Molecular Properties

Compound Name(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
PubChem CID55263052
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
SMILESCC1CCC2(CC1)OCC(CN)O2
InChIInChI=1S/C10H19NO2/c1-8-2-4-10(5-3-8)12-7-9(6-11)13-10/h8-9H,2-7,11H2,1H3
InChIKeyKBZIHOVRYVMRDO-UHFFFAOYSA-N
XLogP1.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine?
The IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine (CID 55263052) is (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine.
What is the SMILES notation for (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine?
The canonical SMILES for (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine is CC1CCC2(CC1)OCC(CN)O2.
What is the InChIKey of (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine?
The InChIKey is KBZIHOVRYVMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-2-4-10(5-3-8)12-7-9(6-11)13-10/h8-9H,2-7,11H2,1H3.
What are the key properties of (8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine?
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine has a molecular weight of 185.27 g/mol, XLogP of 1.27, 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[4.5]decan-3-yl)methanamine is sourced from PubChem (CID 55263052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).