N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide

C15H30N4O — CID 109482981

IUPACN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
SMILESC=CCCCCCN(C)/C(=N\CCNC(C)=O)NCC
InChIInChI=1S/C15H30N4O/c1-5-7-8-9-10-13-19(4)15(16-6-2)18-12-11-17-14(3)20/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20)
InChIKeyHPXFJYLFVPJXGJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.77
Rot. Bonds10

About N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide

N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide (PubChem CID 109482981) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
PubChem CID109482981
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
SMILESC=CCCCCCN(C)/C(=N\CCNC(C)=O)NCC
InChIInChI=1S/C15H30N4O/c1-5-7-8-9-10-13-19(4)15(16-6-2)18-12-11-17-14(3)20/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20)
InChIKeyHPXFJYLFVPJXGJ-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide 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-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide (CID 109482981) is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide is C=CCCCCCN(C)/C(=N\CCNC(C)=O)NCC.
What is the InChIKey of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide?
The InChIKey is HPXFJYLFVPJXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-7-8-9-10-13-19(4)15(16-6-2)18-12-11-17-14(3)20/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide?
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 109482981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).