N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide

C17H35IN4O — CID 109483006

IUPACN-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C17H34N4O.HI/c1-7-9-10-11-12-13-21(6)16(18-8-2)19-14-15(22)20-17(3,4)5;/h7H,1,8-14H2,2-6H3,(H,18,19)(H,20,22);1H
InChIKeyTUNJQYAYQHPDPH-UHFFFAOYSA-N
MW438.40 g/mol
LogP3.16
Rot. Bonds9

About N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 109483006) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
PubChem CID109483006
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC NameN-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C17H34N4O.HI/c1-7-9-10-11-12-13-21(6)16(18-8-2)19-14-15(22)20-17(3,4)5;/h7H,1,8-14H2,2-6H3,(H,18,19)(H,20,22);1H
InChIKeyTUNJQYAYQHPDPH-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 53.16
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide (CID 109483006) is N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide is C=CCCCCCN(C)/C(=N\CC(=O)NC(C)(C)C)NCC.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is TUNJQYAYQHPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-7-9-10-11-12-13-21(6)16(18-8-2)19-14-15(22)20-17(3,4)5;/h7H,1,8-14H2,2-6H3,(H,18,19)(H,20,22);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 109483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).