3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide

C15H24N2O — CID 65471181

IUPAC3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCC(C)CCC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-5-6-10(2)9-18-14-11(3)7-13(15(16)17)8-12(14)4/h7-8,10H,5-6,9H2,1-4H3,(H3,16,17)
InChIKeyRDBSZLQJTPADNV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.40
Rot. Bonds6

About 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide

3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide (PubChem CID 65471181) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
PubChem CID65471181
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCC(C)CCC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-5-6-10(2)9-18-14-11(3)7-13(15(16)17)8-12(14)4/h7-8,10H,5-6,9H2,1-4H3,(H3,16,17)
InChIKeyRDBSZLQJTPADNV-UHFFFAOYSA-N
XLogP3.40
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide
CID 65470800
5-(2-methylpentoxy)pyrazine-2-carboximidamide
CID 103283955
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
CID 65470611
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 114346108
3,5-dimethyl-4-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043385
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The IUPAC name of 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide (CID 65471181) is 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The canonical SMILES for 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCC(C)CCC)c(C)c1.
What is the InChIKey of 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The InChIKey is RDBSZLQJTPADNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-6-10(2)9-18-14-11(3)7-13(15(16)17)8-12(14)4/h7-8,10H,5-6,9H2,1-4H3,(H3,16,17).
What are the key properties of 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide has a molecular weight of 248.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide is sourced from PubChem (CID 65471181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).