4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide

C17H24N2O2 — CID 102898340

IUPAC4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H24N2O2/c18-16(19)13-4-6-14(7-5-13)20-12-15-8-11-17(21-15)9-2-1-3-10-17/h4-7,15H,1-3,8-12H2,(H3,18,19)
InChIKeyLJFKYUWKYAUDHQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds4

About 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide

4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 102898340) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
PubChem CID102898340
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H24N2O2/c18-16(19)13-4-6-14(7-5-13)20-12-15-8-11-17(21-15)9-2-1-3-10-17/h4-7,15H,1-3,8-12H2,(H3,18,19)
InChIKeyLJFKYUWKYAUDHQ-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

1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898342
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide
CID 116522043
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide (CID 102898340) is 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC2CCC3(CCCCC3)O2)cc1.
What is the InChIKey of 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is LJFKYUWKYAUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16(19)13-4-6-14(7-5-13)20-12-15-8-11-17(21-15)9-2-1-3-10-17/h4-7,15H,1-3,8-12H2,(H3,18,19).
What are the key properties of 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide?
4-(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 4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 102898340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).