ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

C14H28N2O — CID 143432445

IUPACethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCN(C)C(C)=O.CC.CC
InChIInChI=1S/C10H16N2O.2C2H6/c1-5-10(8-11-3)6-7-12(4)9(2)13;2*1-2/h5,8H,1,3,6-7H2,2,4H3;2*1-2H3/b10-8+;;
InChIKeyZMGWBIKEDXHAGL-PIHABLKOSA-N
MW240.39 g/mol
LogP3.68
Rot. Bonds5

About ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (PubChem CID 143432445) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
PubChem CID143432445
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCN(C)C(C)=O.CC.CC
InChIInChI=1S/C10H16N2O.2C2H6/c1-5-10(8-11-3)6-7-12(4)9(2)13;2*1-2/h5,8H,1,3,6-7H2,2,4H3;2*1-2H3/b10-8+;;
InChIKeyZMGWBIKEDXHAGL-PIHABLKOSA-N
XLogP3.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-Methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene
CID 143095314
N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
CID 143560236
N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143571918
N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
CID 163956379
N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432446
N-[(3Z)-3-[(ethylideneamino)methylidene]-4-methylpent-4-enyl]-N-methylacetamide
CID 145629061

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The IUPAC name of ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (CID 143432445) is ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.
What is the SMILES notation for ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The canonical SMILES for ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is C=C/C(=C\N=C)CCN(C)C(C)=O.CC.CC.
What is the InChIKey of ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The InChIKey is ZMGWBIKEDXHAGL-PIHABLKOSA-N. The full InChI is InChI=1S/C10H16N2O.2C2H6/c1-5-10(8-11-3)6-7-12(4)9(2)13;2*1-2/h5,8H,1,3,6-7H2,2,4H3;2*1-2H3/b10-8+;;.
What are the key properties of ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide has a molecular weight of 240.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is sourced from PubChem (CID 143432445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).