N'-butyl-N-ethyl-3-phenylpropanimidamide

C15H24N2 — CID 15880906

IUPACN'-butyl-N-ethyl-3-phenylpropanimidamide
SMILESCCCC/N=C(/CCc1ccccc1)NCC
InChIInChI=1S/C15H24N2/c1-3-5-13-17-15(16-4-2)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,16,17)
InChIKeyMSGDRHQZAJEPIE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.43
Rot. Bonds7

About N'-butyl-N-ethyl-3-phenylpropanimidamide

N'-butyl-N-ethyl-3-phenylpropanimidamide (PubChem CID 15880906) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-butyl-N-ethyl-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-butyl-N-ethyl-3-phenylpropanimidamide
PubChem CID15880906
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-butyl-N-ethyl-3-phenylpropanimidamide
SMILESCCCC/N=C(/CCc1ccccc1)NCC
InChIInChI=1S/C15H24N2/c1-3-5-13-17-15(16-4-2)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,16,17)
InChIKeyMSGDRHQZAJEPIE-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-butyl-N-ethyl-3-phenylpropanimidamide?
The IUPAC name of N'-butyl-N-ethyl-3-phenylpropanimidamide (CID 15880906) is N'-butyl-N-ethyl-3-phenylpropanimidamide.
What is the SMILES notation for N'-butyl-N-ethyl-3-phenylpropanimidamide?
The canonical SMILES for N'-butyl-N-ethyl-3-phenylpropanimidamide is CCCC/N=C(/CCc1ccccc1)NCC.
What is the InChIKey of N'-butyl-N-ethyl-3-phenylpropanimidamide?
The InChIKey is MSGDRHQZAJEPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-5-13-17-15(16-4-2)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,16,17).
What are the key properties of N'-butyl-N-ethyl-3-phenylpropanimidamide?
N'-butyl-N-ethyl-3-phenylpropanimidamide has a molecular weight of 232.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethyl-3-phenylpropanimidamide is sourced from PubChem (CID 15880906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).