N'-methyl-N-propylbenzenecarboximidamide;hydroiodide

C11H17IN2 — CID 3056074

IUPACN'-methyl-N-propylbenzenecarboximidamide;hydroiodide
SMILESCCCN/C(=N\C)c1ccccc1.I
InChIInChI=1S/C11H16N2.HI/c1-3-9-13-11(12-2)10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H,12,13);1H
InChIKeyGEEKWJUPPUVERX-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.68
Rot. Bonds3

About N'-methyl-N-propylbenzenecarboximidamide;hydroiodide

N'-methyl-N-propylbenzenecarboximidamide;hydroiodide (PubChem CID 3056074) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N'-methyl-N-propylbenzenecarboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-propylbenzenecarboximidamide;hydroiodide
PubChem CID3056074
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC NameN'-methyl-N-propylbenzenecarboximidamide;hydroiodide
SMILESCCCN/C(=N\C)c1ccccc1.I
InChIInChI=1S/C11H16N2.HI/c1-3-9-13-11(12-2)10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H,12,13);1H
InChIKeyGEEKWJUPPUVERX-UHFFFAOYSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.68
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propylbenzenecarboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-propylbenzenecarboximidamide;hydroiodide (CID 3056074) is N'-methyl-N-propylbenzenecarboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-propylbenzenecarboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-propylbenzenecarboximidamide;hydroiodide is CCCN/C(=N\C)c1ccccc1.I.
What is the InChIKey of N'-methyl-N-propylbenzenecarboximidamide;hydroiodide?
The InChIKey is GEEKWJUPPUVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.HI/c1-3-9-13-11(12-2)10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H,12,13);1H.
What are the key properties of N'-methyl-N-propylbenzenecarboximidamide;hydroiodide?
N'-methyl-N-propylbenzenecarboximidamide;hydroiodide has a molecular weight of 304.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propylbenzenecarboximidamide;hydroiodide is sourced from PubChem (CID 3056074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).