2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide

C17H24N2O2 — CID 102898342

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H24N2O2/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H3,18,19)
InChIKeyZBMMEJCULMGUNK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide

2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 102898342) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
PubChem CID102898342
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H24N2O2/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H3,18,19)
InChIKeyZBMMEJCULMGUNK-UHFFFAOYSA-N
XLogP3.23
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898340
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide (CID 102898342) is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is ZBMMEJCULMGUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H3,18,19).
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 288.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 102898342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).