3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide

C13H20N2O2 — CID 103567659

IUPAC3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)4-5-17-12-7-10(13(14)15)6-11(8-12)16-3/h6-9H,4-5H2,1-3H3,(H3,14,15)
InChIKeyRURLRIFPCXKBMI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.40
Rot. Bonds6

About 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide

3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide (PubChem CID 103567659) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
PubChem CID103567659
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)4-5-17-12-7-10(13(14)15)6-11(8-12)16-3/h6-9H,4-5H2,1-3H3,(H3,14,15)
InChIKeyRURLRIFPCXKBMI-UHFFFAOYSA-N
XLogP2.40
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.40
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'}

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Related Compounds

3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
CID 103567600
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide (CID 103567659) is 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCCC(C)C)c1.
What is the InChIKey of 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide?
The InChIKey is RURLRIFPCXKBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)4-5-17-12-7-10(13(14)15)6-11(8-12)16-3/h6-9H,4-5H2,1-3H3,(H3,14,15).
What are the key properties of 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide?
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 103567659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).