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

C18H26N4O2 — CID 20686996

IUPAC4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCCO)CC3)C2)cc1
InChIInChI=1S/C18H26N4O2/c19-17(20)15-5-3-14(4-6-15)16-13-18(24-21-16)7-10-22(11-8-18)9-1-2-12-23/h3-6,23H,1-2,7-13H2,(H3,19,20)
InChIKeyZMVQTIMQEPYSPL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.70
Rot. Bonds6

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

4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide (PubChem CID 20686996) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
PubChem CID20686996
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCCO)CC3)C2)cc1
InChIInChI=1S/C18H26N4O2/c19-17(20)15-5-3-14(4-6-15)16-13-18(24-21-16)7-10-22(11-8-18)9-1-2-12-23/h3-6,23H,1-2,7-13H2,(H3,19,20)
InChIKeyZMVQTIMQEPYSPL-UHFFFAOYSA-N
XLogP1.70
TPSA94.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]acetic acid
CID 164885961
2-[1-[[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]acetic acid
CID 164885967
3-fluoro-N'-hydroxy-4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 24708259
Fluoro 2-[3-(4-carbamimidoylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]acetate
CID 141863664
2-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]acetic acid
CID 9798261
2-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-hydroxypiperidin-1-yl]acetic acid
CID 9820264
2-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylidene]piperidin-1-yl]acetic acid
CID 9862870
2-[1-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]acetic acid
CID 9950030
3-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-hydroxypiperidin-1-yl]propanoic acid
CID 18407578
2-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]acetic acid
CID 18407597
2-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-1-yl]acetic acid
CID 18407612
3-[4-[[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-1-yl]propanoic acid
CID 18407648

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide?
The IUPAC name of 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide (CID 20686996) is 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide?
The canonical SMILES for 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2=NOC3(CCN(CCCCO)CC3)C2)cc1.
What is the InChIKey of 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide?
The InChIKey is ZMVQTIMQEPYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-17(20)15-5-3-14(4-6-15)16-13-18(24-21-16)7-10-22(11-8-18)9-1-2-12-23/h3-6,23H,1-2,7-13H2,(H3,19,20).
What are the key properties of 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide?
4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide has a molecular weight of 330.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide is sourced from PubChem (CID 20686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).