N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine

C11H19NO2 — CID 16791385

IUPACN-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1COC2(CCC(NC3CC3)CC2)O1
InChIInChI=1S/C11H19NO2/c1-2-9(1)12-10-3-5-11(6-4-10)13-7-8-14-11/h9-10,12H,1-8H2
InChIKeyOHKGJSNVBUFBIA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds2

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

N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16791385) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16791385
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1COC2(CCC(NC3CC3)CC2)O1
InChIInChI=1S/C11H19NO2/c1-2-9(1)12-10-3-5-11(6-4-10)13-7-8-14-11/h9-10,12H,1-8H2
InChIKeyOHKGJSNVBUFBIA-UHFFFAOYSA-N
XLogP1.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 16791385) is N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine is C1COC2(CCC(NC3CC3)CC2)O1.
What is the InChIKey of N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OHKGJSNVBUFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9(1)12-10-3-5-11(6-4-10)13-7-8-14-11/h9-10,12H,1-8H2.
What are the key properties of N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 197.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16791385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).