N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide

C11H21N3O — CID 123673961

IUPACN-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
SMILESCC=C/C(=N\C)C(=O)NC(C)CNCC
InChIInChI=1S/C11H21N3O/c1-5-7-10(12-4)11(15)14-9(3)8-13-6-2/h5,7,9,13H,6,8H2,1-4H3,(H,14,15)/b7-5?,12-10+
InChIKeyHGPBIEVSVSVBQC-HQIOOAAJSA-N
MW211.31 g/mol
LogP0.75
Rot. Bonds6

About N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide

N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide (PubChem CID 123673961) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide.

Molecular Properties

Compound NameN-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
PubChem CID123673961
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
SMILESCC=C/C(=N\C)C(=O)NC(C)CNCC
InChIInChI=1S/C11H21N3O/c1-5-7-10(12-4)11(15)14-9(3)8-13-6-2/h5,7,9,13H,6,8H2,1-4H3,(H,14,15)/b7-5?,12-10+
InChIKeyHGPBIEVSVSVBQC-HQIOOAAJSA-N
XLogP0.75
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-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 N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide?
The IUPAC name of N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide (CID 123673961) is N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide.
What is the SMILES notation for N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide?
The canonical SMILES for N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide is CC=C/C(=N\C)C(=O)NC(C)CNCC.
What is the InChIKey of N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide?
The InChIKey is HGPBIEVSVSVBQC-HQIOOAAJSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-7-10(12-4)11(15)14-9(3)8-13-6-2/h5,7,9,13H,6,8H2,1-4H3,(H,14,15)/b7-5?,12-10+.
What are the key properties of N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide?
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide has a molecular weight of 211.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide is sourced from PubChem (CID 123673961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).