N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine

C17H25NO2 — CID 12595617

IUPACN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C17H25NO2/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17/h4-6,13H,7-12H2,1-3H3
InChIKeyDXOHDYBJRLARSL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds2

About N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine

N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595617) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595617
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C17H25NO2/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17/h4-6,13H,7-12H2,1-3H3
InChIKeyDXOHDYBJRLARSL-UHFFFAOYSA-N
XLogP3.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
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-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595617) is N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine is Cc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1.
What is the InChIKey of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is DXOHDYBJRLARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17/h4-6,13H,7-12H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 275.39 g/mol, XLogP of 3.07, 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-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).