N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

C16H33IN4O2 — CID 109381979

IUPACN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1.I
InChIInChI=1S/C16H32N4O2.HI/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4;/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21);1H
InChIKeyZZYJIRWUGXRGSE-UHFFFAOYSA-N
MW440.37 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109381979) has the molecular formula C16H33IN4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
PubChem CID109381979
Molecular FormulaC16H33IN4O2
Molecular Weight440.37 g/mol
Exact Mass440.16
IUPAC NameN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1.I
InChIInChI=1S/C16H32N4O2.HI/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4;/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21);1H
InChIKeyZZYJIRWUGXRGSE-UHFFFAOYSA-N
XLogP1.70
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109383411
2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109383412
2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109383827
2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112054942
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112057539
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112057540
2-[[(3-fluoropropylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 112402787
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109381449
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109381450
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 109381589
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109381591
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109381592

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (CID 109381979) is N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1.I.
What is the InChIKey of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is ZZYJIRWUGXRGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.HI/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4;/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21);1H.
What are the key properties of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109381979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).