4-octoxybenzenecarboximidamide

C15H24N2O — CID 3302492

IUPAC4-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H3,16,17)
InChIKeyLHUCFDLLMCMFBK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds9

About 4-octoxybenzenecarboximidamide

4-octoxybenzenecarboximidamide (PubChem CID 3302492) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-octoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-octoxybenzenecarboximidamide
PubChem CID3302492
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H3,16,17)
InChIKeyLHUCFDLLMCMFBK-UHFFFAOYSA-N
XLogP3.71
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

4-butoxybenzenecarboximidamide
CID 3015454
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065

Frequently Asked Questions

What is the IUPAC name of 4-octoxybenzenecarboximidamide?
The IUPAC name of 4-octoxybenzenecarboximidamide (CID 3302492) is 4-octoxybenzenecarboximidamide.
What is the SMILES notation for 4-octoxybenzenecarboximidamide?
The canonical SMILES for 4-octoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCCCC)cc1.
What is the InChIKey of 4-octoxybenzenecarboximidamide?
The InChIKey is LHUCFDLLMCMFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H3,16,17).
What are the key properties of 4-octoxybenzenecarboximidamide?
4-octoxybenzenecarboximidamide has a molecular weight of 248.37 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxybenzenecarboximidamide is sourced from PubChem (CID 3302492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).