1,4-dioxaspiro[4.5]decane;phenylmethanamine

C15H23NO2 — CID 143618966

IUPAC1,4-dioxaspiro[4.5]decane;phenylmethanamine
SMILESC1CCC2(CC1)OCCO2.NCc1ccccc1
InChIInChI=1S/C8H14O2.C7H9N/c1-2-4-8(5-3-1)9-6-7-10-8;8-6-7-4-2-1-3-5-7/h1-7H2;1-5H,6,8H2
InChIKeyCJNBQLADWVBZSV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decane;phenylmethanamine

1,4-dioxaspiro[4.5]decane;phenylmethanamine (PubChem CID 143618966) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decane;phenylmethanamine.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decane;phenylmethanamine
PubChem CID143618966
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1,4-dioxaspiro[4.5]decane;phenylmethanamine
SMILESC1CCC2(CC1)OCCO2.NCc1ccccc1
InChIInChI=1S/C8H14O2.C7H9N/c1-2-4-8(5-3-1)9-6-7-10-8;8-6-7-4-2-1-3-5-7/h1-7H2;1-5H,6,8H2
InChIKeyCJNBQLADWVBZSV-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
sodium phenylmethanamine
CID 172793696
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
(2-benzyloxolan-2-yl)methanamine
CID 84772073
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
CID 129395694
CID 174688914
CID 174688914
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
cycloheptanamine;phenylmethanamine
CID 162192852

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decane;phenylmethanamine?
The IUPAC name of 1,4-dioxaspiro[4.5]decane;phenylmethanamine (CID 143618966) is 1,4-dioxaspiro[4.5]decane;phenylmethanamine.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decane;phenylmethanamine?
The canonical SMILES for 1,4-dioxaspiro[4.5]decane;phenylmethanamine is C1CCC2(CC1)OCCO2.NCc1ccccc1.
What is the InChIKey of 1,4-dioxaspiro[4.5]decane;phenylmethanamine?
The InChIKey is CJNBQLADWVBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H9N/c1-2-4-8(5-3-1)9-6-7-10-8;8-6-7-4-2-1-3-5-7/h1-7H2;1-5H,6,8H2.
What are the key properties of 1,4-dioxaspiro[4.5]decane;phenylmethanamine?
1,4-dioxaspiro[4.5]decane;phenylmethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decane;phenylmethanamine is sourced from PubChem (CID 143618966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).