N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide

C13H21N3O — CID 62544953

IUPACN-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide
SMILESCCC(/C(=N/CCOC)NN)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-3-12(11-7-5-4-6-8-11)13(16-14)15-9-10-17-2/h4-8,12H,3,9-10,14H2,1-2H3,(H,15,16)
InChIKeyQEILFYSRLAWSKI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds6

About N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide

N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide (PubChem CID 62544953) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide
PubChem CID62544953
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide
SMILESCCC(/C(=N/CCOC)NN)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-3-12(11-7-5-4-6-8-11)13(16-14)15-9-10-17-2/h4-8,12H,3,9-10,14H2,1-2H3,(H,15,16)
InChIKeyQEILFYSRLAWSKI-UHFFFAOYSA-N
XLogP1.69
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide (CID 62544953) is N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide is CCC(/C(=N/CCOC)NN)c1ccccc1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide?
The InChIKey is QEILFYSRLAWSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12(11-7-5-4-6-8-11)13(16-14)15-9-10-17-2/h4-8,12H,3,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide?
N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide is sourced from PubChem (CID 62544953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).