N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide

C11H19N3 — CID 154930903

IUPACN'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide
SMILESC=C/C(N)=N\C(=C)/C=C(\C)C(C)NC
InChIInChI=1S/C11H19N3/c1-6-11(12)14-9(3)7-8(2)10(4)13-5/h6-7,10,13H,1,3H2,2,4-5H3,(H2,12,14)/b8-7+
InChIKeyFRNBBMLDOWWAMC-BQYQJAHWSA-N
MW193.29 g/mol
LogP1.60
Rot. Bonds5

About N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide

N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide (PubChem CID 154930903) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide
PubChem CID154930903
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide
SMILESC=C/C(N)=N\C(=C)/C=C(\C)C(C)NC
InChIInChI=1S/C11H19N3/c1-6-11(12)14-9(3)7-8(2)10(4)13-5/h6-7,10,13H,1,3H2,2,4-5H3,(H2,12,14)/b8-7+
InChIKeyFRNBBMLDOWWAMC-BQYQJAHWSA-N
XLogP1.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide 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'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide?
The IUPAC name of N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide (CID 154930903) is N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide.
What is the SMILES notation for N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide?
The canonical SMILES for N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide is C=C/C(N)=N\C(=C)/C=C(\C)C(C)NC.
What is the InChIKey of N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide?
The InChIKey is FRNBBMLDOWWAMC-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-11(12)14-9(3)7-8(2)10(4)13-5/h6-7,10,13H,1,3H2,2,4-5H3,(H2,12,14)/b8-7+.
What are the key properties of N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide?
N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide has a molecular weight of 193.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide is sourced from PubChem (CID 154930903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).