2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H35IN4O2 — CID 110049869

IUPAC2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1CCOC(C(CC)CC)C1.I
InChIInChI=1S/C17H34N4O2.HI/c1-6-13(7-2)15-11-14(9-10-23-15)20-17(18-8-3)19-12-16(22)21(4)5;/h13-15H,6-12H2,1-5H3,(H2,18,19,20);1H
InChIKeyBAZMMSFSJYCUQE-UHFFFAOYSA-N
MW454.40 g/mol
LogP2.23
Rot. Bonds7

About 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110049869) has the molecular formula C17H35IN4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110049869
Molecular FormulaC17H35IN4O2
Molecular Weight454.40 g/mol
Exact Mass454.18
IUPAC Name2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1CCOC(C(CC)CC)C1.I
InChIInChI=1S/C17H34N4O2.HI/c1-6-13(7-2)15-11-14(9-10-23-15)20-17(18-8-3)19-12-16(22)21(4)5;/h13-15H,6-12H2,1-5H3,(H2,18,19,20);1H
InChIKeyBAZMMSFSJYCUQE-UHFFFAOYSA-N
XLogP2.23
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
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

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049854
2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049852
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049840
2-[[[2-(furan-2-yl)ethylamino]-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110061435
2-[[N'-benzyl-N-(2-pentan-3-yloxan-4-yl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110049838
2-[[ethylamino-[(3-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041706
2-[[ethylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042569
2-[[[(2-cyclohexylcyclopropyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775775
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039577
2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110049869) is 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NC1CCOC(C(CC)CC)C1.I.
What is the InChIKey of 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is BAZMMSFSJYCUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.HI/c1-6-13(7-2)15-11-14(9-10-23-15)20-17(18-8-3)19-12-16(22)21(4)5;/h13-15H,6-12H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 454.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110049869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).