N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

C16H25N3 — CID 89329484

IUPACN-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCCNc1ccc(C)cc1/C(C)=N/N1CCCCC1
InChIInChI=1S/C16H25N3/c1-4-17-16-9-8-13(2)12-15(16)14(3)18-19-10-6-5-7-11-19/h8-9,12,17H,4-7,10-11H2,1-3H3/b18-14+
InChIKeyAPUFAXJEQLGLKU-NBVRZTHBSA-N
MW259.40 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (PubChem CID 89329484) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
PubChem CID89329484
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCCNc1ccc(C)cc1/C(C)=N/N1CCCCC1
InChIInChI=1S/C16H25N3/c1-4-17-16-9-8-13(2)12-15(16)14(3)18-19-10-6-5-7-11-19/h8-9,12,17H,4-7,10-11H2,1-3H3/b18-14+
InChIKeyAPUFAXJEQLGLKU-NBVRZTHBSA-N
XLogP3.64
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The IUPAC name of N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (CID 89329484) is N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.
What is the SMILES notation for N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The canonical SMILES for N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is CCNc1ccc(C)cc1/C(C)=N/N1CCCCC1.
What is the InChIKey of N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The InChIKey is APUFAXJEQLGLKU-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-17-16-9-8-13(2)12-15(16)14(3)18-19-10-6-5-7-11-19/h8-9,12,17H,4-7,10-11H2,1-3H3/b18-14+.
What are the key properties of N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline has a molecular weight of 259.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is sourced from PubChem (CID 89329484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).