N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide

C15H25N3O — CID 55084887

IUPACN-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide
SMILESCCC(C)C(/C(=N/CCOC)NN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-12(2)14(13-8-6-5-7-9-13)15(18-16)17-10-11-19-3/h5-9,12,14H,4,10-11,16H2,1-3H3,(H,17,18)
InChIKeyPPDKHACREPUXMH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds7

About N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide

N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide (PubChem CID 55084887) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide
PubChem CID55084887
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide
SMILESCCC(C)C(/C(=N/CCOC)NN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-12(2)14(13-8-6-5-7-9-13)15(18-16)17-10-11-19-3/h5-9,12,14H,4,10-11,16H2,1-3H3,(H,17,18)
InChIKeyPPDKHACREPUXMH-UHFFFAOYSA-N
XLogP2.32
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
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)-3-methyl-2-phenylpentanimidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide (CID 55084887) is N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide is CCC(C)C(/C(=N/CCOC)NN)c1ccccc1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide?
The InChIKey is PPDKHACREPUXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(2)14(13-8-6-5-7-9-13)15(18-16)17-10-11-19-3/h5-9,12,14H,4,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide?
N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.32, 7 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)-3-methyl-2-phenylpentanimidamide is sourced from PubChem (CID 55084887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).