N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C10H19NO2 — CID 138595355

IUPACN,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1C)OCCO2
InChIInChI=1S/C10H19NO2/c1-8-7-10(12-5-6-13-10)4-3-9(8)11-2/h8-9,11H,3-7H2,1-2H3
InChIKeyYRTPZCVKNCCGKR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds1

About N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 138595355) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID138595355
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1C)OCCO2
InChIInChI=1S/C10H19NO2/c1-8-7-10(12-5-6-13-10)4-3-9(8)11-2/h8-9,11H,3-7H2,1-2H3
InChIKeyYRTPZCVKNCCGKR-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 138595355) is N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1C)OCCO2.
What is the InChIKey of N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YRTPZCVKNCCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-7-10(12-5-6-13-10)4-3-9(8)11-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 185.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 138595355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).