4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide

C16H22N4O — CID 20622644

IUPAC4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CC)CC3)C2)cc1
InChIInChI=1S/C16H22N4O/c1-2-20-9-7-16(8-10-20)11-14(19-21-16)12-3-5-13(6-4-12)15(17)18/h3-6H,2,7-11H2,1H3,(H3,17,18)
InChIKeyBXCNZXMLOUYJDG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds3

About 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide

4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide (PubChem CID 20622644) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
PubChem CID20622644
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CC)CC3)C2)cc1
InChIInChI=1S/C16H22N4O/c1-2-20-9-7-16(8-10-20)11-14(19-21-16)12-3-5-13(6-4-12)15(17)18/h3-6H,2,7-11H2,1H3,(H3,17,18)
InChIKeyBXCNZXMLOUYJDG-UHFFFAOYSA-N
XLogP1.95
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
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

3-Phenyl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134793918
3-Methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134794975
8-Tert-butyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 176809563
8-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11064249
Fluoro 2-[3-(4-carbamimidoylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]acetate
CID 141863664
4-(8-Butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622642
4-(8-Pentanoyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622646
4-(8-Pentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622647
4-[8-(2-Hydroxyethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
CID 20686993
4-[8-(4-Hydroxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
CID 20686995
4-[8-(4-Hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
CID 20686996
3-[3-(4-Carbamimidoylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propanoic acid
CID 22975642

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The IUPAC name of 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide (CID 20622644) is 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The canonical SMILES for 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2=NOC3(CCN(CC)CC3)C2)cc1.
What is the InChIKey of 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The InChIKey is BXCNZXMLOUYJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-9-7-16(8-10-20)11-14(19-21-16)12-3-5-13(6-4-12)15(17)18/h3-6H,2,7-11H2,1H3,(H3,17,18).
What are the key properties of 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide has a molecular weight of 286.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide is sourced from PubChem (CID 20622644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).