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

C18H26N4O — CID 20622642

IUPAC4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCC)CC3)C2)cc1
InChIInChI=1S/C18H26N4O/c1-2-3-10-22-11-8-18(9-12-22)13-16(21-23-18)14-4-6-15(7-5-14)17(19)20/h4-7H,2-3,8-13H2,1H3,(H3,19,20)
InChIKeyHVHYHZPQKZHKPW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.73
Rot. Bonds5

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

4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide (PubChem CID 20622642) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
PubChem CID20622642
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCC)CC3)C2)cc1
InChIInChI=1S/C18H26N4O/c1-2-3-10-22-11-8-18(9-12-22)13-16(21-23-18)14-4-6-15(7-5-14)17(19)20/h4-7H,2-3,8-13H2,1H3,(H3,19,20)
InChIKeyHVHYHZPQKZHKPW-UHFFFAOYSA-N
XLogP2.73
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.73
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-Ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622644
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-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The IUPAC name of 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide (CID 20622642) is 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The canonical SMILES for 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCC)CC3)C2)cc1.
What is the InChIKey of 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
The InChIKey is HVHYHZPQKZHKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-3-10-22-11-8-18(9-12-22)13-16(21-23-18)14-4-6-15(7-5-14)17(19)20/h4-7H,2-3,8-13H2,1H3,(H3,19,20).
What are the key properties of 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide?
4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide has a molecular weight of 314.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide is sourced from PubChem (CID 20622642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).