N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide

C17H31IN4O2 — CID 75371796

IUPACN-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)NC(C)(C)C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C17H30N4O2.HI/c1-7-18-16(19-11-10-15(22)21-17(4,5)6)20-13(3)14-9-8-12(2)23-14;/h8-9,13H,7,10-11H2,1-6H3,(H,21,22)(H2,18,19,20);1H
InChIKeyUVVXLGGFLWYXQB-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.13
Rot. Bonds6

About N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide

N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide (PubChem CID 75371796) has the molecular formula C17H31IN4O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
PubChem CID75371796
Molecular FormulaC17H31IN4O2
Molecular Weight450.37 g/mol
Exact Mass450.15
IUPAC NameN-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)NC(C)(C)C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C17H30N4O2.HI/c1-7-18-16(19-11-10-15(22)21-17(4,5)6)20-13(3)14-9-8-12(2)23-14;/h8-9,13H,7,10-11H2,1-6H3,(H,21,22)(H2,18,19,20);1H
InChIKeyUVVXLGGFLWYXQB-UHFFFAOYSA-N
XLogP3.13
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111366520
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499651
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111517473
1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]-2-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine;hydroiodide
CID 111366478
1-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111366493
1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]-2-[(3-nitrophenyl)methyl]guanidine
CID 111366543
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111366475
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111498813
2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366459
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111984758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide?
The IUPAC name of N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide (CID 75371796) is N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide?
The canonical SMILES for N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide is CCN/C(=N\CCC(=O)NC(C)(C)C)NC(C)c1ccc(C)o1.I.
What is the InChIKey of N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide?
The InChIKey is UVVXLGGFLWYXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.HI/c1-7-18-16(19-11-10-15(22)21-17(4,5)6)20-13(3)14-9-8-12(2)23-14;/h8-9,13H,7,10-11H2,1-6H3,(H,21,22)(H2,18,19,20);1H.
What are the key properties of N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide?
N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide is sourced from PubChem (CID 75371796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).