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

C15H30N4O — CID 109483237

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

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

N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide (PubChem CID 109483237) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide
PubChem CID109483237
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide
SMILESC=CCCCCCN(C)/C(=N\CC(=O)NCC)NCC
InChIInChI=1S/C15H30N4O/c1-5-8-9-10-11-12-19(4)15(17-7-3)18-13-14(20)16-6-2/h5H,1,6-13H2,2-4H3,(H,16,20)(H,17,18)
InChIKeyMINYEQURHAOEBK-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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide?
The IUPAC name of N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide (CID 109483237) is N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide is C=CCCCCCN(C)/C(=N\CC(=O)NCC)NCC.
What is the InChIKey of N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide?
The InChIKey is MINYEQURHAOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-8-9-10-11-12-19(4)15(17-7-3)18-13-14(20)16-6-2/h5H,1,6-13H2,2-4H3,(H,16,20)(H,17,18).
What are the key properties of N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide?
N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]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-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 109483237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).