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

C20H25NO2 — CID 12595614

IUPACN,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccc3ccccc23)CCC2(CC1)OCCO2
InChIInChI=1S/C20H25NO2/c1-21(2)19(10-12-20(13-11-19)22-14-15-23-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3
InChIKeyYPZIFMGHPQWPTD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.91
Rot. Bonds2

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

N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595614) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595614
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccc3ccccc23)CCC2(CC1)OCCO2
InChIInChI=1S/C20H25NO2/c1-21(2)19(10-12-20(13-11-19)22-14-15-23-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3
InChIKeyYPZIFMGHPQWPTD-UHFFFAOYSA-N
XLogP3.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595614) is N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2cccc3ccccc23)CCC2(CC1)OCCO2.
What is the InChIKey of N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YPZIFMGHPQWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21(2)19(10-12-20(13-11-19)22-14-15-23-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3.
What are the key properties of N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine?
N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 311.43 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-naphthalen-1-yl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).