4-methyl-N'-propylbenzenecarboximidamide

C11H16N2 — CID 62049958

IUPAC4-methyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C)cc1
InChIInChI=1S/C11H16N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,12,13)
InChIKeyOZPJXGOVPZBXLT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.11
Rot. Bonds3

About 4-methyl-N'-propylbenzenecarboximidamide

4-methyl-N'-propylbenzenecarboximidamide (PubChem CID 62049958) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-N'-propylbenzenecarboximidamide
PubChem CID62049958
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C)cc1
InChIInChI=1S/C11H16N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,12,13)
InChIKeyOZPJXGOVPZBXLT-UHFFFAOYSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-propylbenzenecarboximidamide?
The IUPAC name of 4-methyl-N'-propylbenzenecarboximidamide (CID 62049958) is 4-methyl-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 4-methyl-N'-propylbenzenecarboximidamide?
The canonical SMILES for 4-methyl-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N'-propylbenzenecarboximidamide?
The InChIKey is OZPJXGOVPZBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,12,13).
What are the key properties of 4-methyl-N'-propylbenzenecarboximidamide?
4-methyl-N'-propylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 62049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).