2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide

C16H22N2O3 — CID 79902475

IUPAC2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C16H22N2O3/c17-15(18)9-12-1-3-13(4-2-12)21-14-5-7-20-16(10-14)6-8-19-11-16/h1-4,14H,5-11H2,(H3,17,18)
InChIKeyAHLMXLMZPLJGLC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide

2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide (PubChem CID 79902475) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide
PubChem CID79902475
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C16H22N2O3/c17-15(18)9-12-1-3-13(4-2-12)21-14-5-7-20-16(10-14)6-8-19-11-16/h1-4,14H,5-11H2,(H3,17,18)
InChIKeyAHLMXLMZPLJGLC-UHFFFAOYSA-N
XLogP1.88
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methylbenzenecarboximidamide
CID 107657216
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
2-chloro-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzonitrile
CID 102724034

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide (CID 79902475) is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OC2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide?
The InChIKey is AHLMXLMZPLJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-15(18)9-12-1-3-13(4-2-12)21-14-5-7-20-16(10-14)6-8-19-11-16/h1-4,14H,5-11H2,(H3,17,18).
What are the key properties of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide?
2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide has a molecular weight of 290.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide is sourced from PubChem (CID 79902475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).