2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide

C11H20N4O2 — CID 123535361

IUPAC2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide
SMILESC=NC=C(C)CC(N)C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H20N4O2/c1-7(6-14-4)5-8(12)9(16)15-11(2,3)10(13)17/h6,8H,4-5,12H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyAUANGDQDXCWFPH-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.31
Rot. Bonds6

About 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide (PubChem CID 123535361) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide
PubChem CID123535361
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide
SMILESC=NC=C(C)CC(N)C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H20N4O2/c1-7(6-14-4)5-8(12)9(16)15-11(2,3)10(13)17/h6,8H,4-5,12H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyAUANGDQDXCWFPH-UHFFFAOYSA-N
XLogP-0.31
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide 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 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide?
The IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide (CID 123535361) is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide?
The canonical SMILES for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide is C=NC=C(C)CC(N)C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide?
The InChIKey is AUANGDQDXCWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(6-14-4)5-8(12)9(16)15-11(2,3)10(13)17/h6,8H,4-5,12H2,1-3H3,(H2,13,17)(H,15,16).
What are the key properties of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide?
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide has a molecular weight of 240.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methyl-5-(methylideneamino)pent-4-enamide is sourced from PubChem (CID 123535361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).