N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide

C17H26INO2 — CID 12595616

IUPACN,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide
SMILESCc1ccccc1C1(N(C)C)CCC2(CC1)OCCO2.I
InChIInChI=1S/C17H25NO2.HI/c1-14-6-4-5-7-15(14)16(18(2)3)8-10-17(11-9-16)19-12-13-20-17;/h4-7H,8-13H2,1-3H3;1H
InChIKeyVPFRIYWTECGZHC-UHFFFAOYSA-N
MW403.30 g/mol
LogP3.69
Rot. Bonds2

About N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide

N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide (PubChem CID 12595616) has the molecular formula C17H26INO2 and a molecular weight of 403.30 g/mol. Its IUPAC name is N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide
PubChem CID12595616
Molecular FormulaC17H26INO2
Molecular Weight403.30 g/mol
Exact Mass403.10
IUPAC NameN,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide
SMILESCc1ccccc1C1(N(C)C)CCC2(CC1)OCCO2.I
InChIInChI=1S/C17H25NO2.HI/c1-14-6-4-5-7-15(14)16(18(2)3)8-10-17(11-9-16)19-12-13-20-17;/h4-7H,8-13H2,1-3H3;1H
InChIKeyVPFRIYWTECGZHC-UHFFFAOYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide?
The IUPAC name of N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide (CID 12595616) is N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide.
What is the SMILES notation for N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide?
The canonical SMILES for N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide is Cc1ccccc1C1(N(C)C)CCC2(CC1)OCCO2.I.
What is the InChIKey of N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide?
The InChIKey is VPFRIYWTECGZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.HI/c1-14-6-4-5-7-15(14)16(18(2)3)8-10-17(11-9-16)19-12-13-20-17;/h4-7H,8-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide?
N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide has a molecular weight of 403.30 g/mol, XLogP of 3.69, 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-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydroiodide is sourced from PubChem (CID 12595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).