1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine

C10H19NO2 — CID 83852998

IUPAC1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine
SMILESCNCC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H19NO2/c1-11-8-9-3-2-4-10(7-9)12-5-6-13-10/h9,11H,2-8H2,1H3
InChIKeyXKDYBBWQVANPSN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine

1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine (PubChem CID 83852998) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine
PubChem CID83852998
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine
SMILESCNCC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H19NO2/c1-11-8-9-3-2-4-10(7-9)12-5-6-13-10/h9,11H,2-8H2,1H3
InChIKeyXKDYBBWQVANPSN-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine (CID 83852998) is 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine is CNCC1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine?
The InChIKey is XKDYBBWQVANPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-8-9-3-2-4-10(7-9)12-5-6-13-10/h9,11H,2-8H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine?
1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine has a molecular weight of 185.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylmethanamine is sourced from PubChem (CID 83852998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).