4-(hexoxymethyl)benzenecarboximidamide

C14H22N2O — CID 29003065

IUPAC4-(hexoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCCCCC)cc1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-10-17-11-12-6-8-13(9-7-12)14(15)16/h6-9H,2-5,10-11H2,1H3,(H3,15,16)
InChIKeyARPSCGTYQBOIQA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.07
Rot. Bonds8

About 4-(hexoxymethyl)benzenecarboximidamide

4-(hexoxymethyl)benzenecarboximidamide (PubChem CID 29003065) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(hexoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(hexoxymethyl)benzenecarboximidamide
PubChem CID29003065
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(hexoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCCCCC)cc1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-10-17-11-12-6-8-13(9-7-12)14(15)16/h6-9H,2-5,10-11H2,1H3,(H3,15,16)
InChIKeyARPSCGTYQBOIQA-UHFFFAOYSA-N
XLogP3.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.07
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-octoxybenzenecarboximidamide
CID 3302492
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-(hexoxymethyl)phenol
CID 14816980
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
4-butoxybenzenecarboximidamide
CID 3015454
4-hexylsulfanylbenzenecarboximidamide
CID 54310899
4-[[3-butyl-5-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide;methane
CID 160987111
1-methyl-4-(octoxymethyl)benzene
CID 86156710
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
4-[5-[(4-carbamimidoylphenyl)methoxy]pentoxy]cyclohepta-2,4-diene-1-carboximidamide;ethane
CID 143106605
4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
CID 24700707
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918

Frequently Asked Questions

What is the IUPAC name of 4-(hexoxymethyl)benzenecarboximidamide?
The IUPAC name of 4-(hexoxymethyl)benzenecarboximidamide (CID 29003065) is 4-(hexoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(hexoxymethyl)benzenecarboximidamide?
The canonical SMILES for 4-(hexoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCCCCC)cc1.
What is the InChIKey of 4-(hexoxymethyl)benzenecarboximidamide?
The InChIKey is ARPSCGTYQBOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-10-17-11-12-6-8-13(9-7-12)14(15)16/h6-9H,2-5,10-11H2,1H3,(H3,15,16).
What are the key properties of 4-(hexoxymethyl)benzenecarboximidamide?
4-(hexoxymethyl)benzenecarboximidamide has a molecular weight of 234.34 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 29003065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).