N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide

C17H26N2O2 — CID 20763356

IUPACN'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
SMILESCC(C)=CCCC(C)CCOc1ccc(/N=C/NO)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16(8-10-17)18-13-19-20/h5,7-10,13,15,20H,4,6,11-12H2,1-3H3,(H,18,19)
InChIKeyKSJGERNTIUETJG-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.48
Rot. Bonds9

About N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide

N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide (PubChem CID 20763356) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
PubChem CID20763356
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
SMILESCC(C)=CCCC(C)CCOc1ccc(/N=C/NO)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16(8-10-17)18-13-19-20/h5,7-10,13,15,20H,4,6,11-12H2,1-3H3,(H,18,19)
InChIKeyKSJGERNTIUETJG-UHFFFAOYSA-N
XLogP4.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(3S)-3,7-dimethyloct-6-enoxy]phenyl]boronic acid
CID 69379924
2-(3,7-dimethyloct-6-enoxy)pyrimidine
CID 139618937
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
CID 20763531
N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
CID 20763518
2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phenazine
CID 5281992
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
8-(3,7-dimethyloct-6-enoxy)quinoline
CID 70351839
N-(3,7-dimethyloct-6-enyl)-4-methoxyaniline
CID 134862029
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide (CID 20763356) is N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide is CC(C)=CCCC(C)CCOc1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide?
The InChIKey is KSJGERNTIUETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16(8-10-17)18-13-19-20/h5,7-10,13,15,20H,4,6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide?
N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide has a molecular weight of 290.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 20763356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).