N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide

C16H28N4 — CID 174245456

IUPACN-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide
SMILESC=N/C=C(\C)CNC(C)=C(CCC)/C(N=C)=N/CCC
InChIInChI=1S/C16H28N4/c1-7-9-15(16(18-6)19-10-8-2)14(4)20-12-13(3)11-17-5/h11,20H,5-10,12H2,1-4H3/b13-11+,15-14?,19-16-
InChIKeyNEOXYRAUCXRHDF-OJVFVPHYSA-N
MW276.43 g/mol
LogP3.76
Rot. Bonds9

About N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide

N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide (PubChem CID 174245456) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide.

Molecular Properties

Compound NameN-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide
PubChem CID174245456
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide
SMILESC=N/C=C(\C)CNC(C)=C(CCC)/C(N=C)=N/CCC
InChIInChI=1S/C16H28N4/c1-7-9-15(16(18-6)19-10-8-2)14(4)20-12-13(3)11-17-5/h11,20H,5-10,12H2,1-4H3/b13-11+,15-14?,19-16-
InChIKeyNEOXYRAUCXRHDF-OJVFVPHYSA-N
XLogP3.76
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide?
The IUPAC name of N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide (CID 174245456) is N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide.
What is the SMILES notation for N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide?
The canonical SMILES for N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide is C=N/C=C(\C)CNC(C)=C(CCC)/C(N=C)=N/CCC.
What is the InChIKey of N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide?
The InChIKey is NEOXYRAUCXRHDF-OJVFVPHYSA-N. The full InChI is InChI=1S/C16H28N4/c1-7-9-15(16(18-6)19-10-8-2)14(4)20-12-13(3)11-17-5/h11,20H,5-10,12H2,1-4H3/b13-11+,15-14?,19-16-.
What are the key properties of N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide?
N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide has a molecular weight of 276.43 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide is sourced from PubChem (CID 174245456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).