3-methoxy-5-pentan-2-yloxybenzenecarboximidamide

C13H20N2O2 — CID 107892959

IUPAC3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OC(C)CCC)c1
InChIInChI=1S/C13H20N2O2/c1-4-5-9(2)17-12-7-10(13(14)15)6-11(8-12)16-3/h6-9H,4-5H2,1-3H3,(H3,14,15)
InChIKeyYTOZCYVBNBMXAP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.55
Rot. Bonds6

About 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide

3-methoxy-5-pentan-2-yloxybenzenecarboximidamide (PubChem CID 107892959) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
PubChem CID107892959
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OC(C)CCC)c1
InChIInChI=1S/C13H20N2O2/c1-4-5-9(2)17-12-7-10(13(14)15)6-11(8-12)16-3/h6-9H,4-5H2,1-3H3,(H3,14,15)
InChIKeyYTOZCYVBNBMXAP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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'}

Analyze 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide 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

3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
3-butan-2-yloxy-5-methoxybenzenecarbothioamide
CID 103567251
3-methoxy-5-(4-methoxybutan-2-yloxy)benzenecarbothioamide
CID 103567342
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
5-pentan-2-yloxy-2-(trifluoromethyl)benzenecarboximidamide
CID 102982109
3-(3,5-dimethoxyphenoxy)butan-1-ol
CID 112508096
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
4-methoxy-2-octan-2-yloxybenzenecarboximidamide
CID 81303227
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide?
The IUPAC name of 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide (CID 107892959) is 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OC(C)CCC)c1.
What is the InChIKey of 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide?
The InChIKey is YTOZCYVBNBMXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-9(2)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-pentan-2-yloxybenzenecarboximidamide?
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-pentan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 107892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).