N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide

C13H29IN4O — CID 111158394

IUPACN-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C13H28N4O.HI/c1-7-8-9-17(6)12(14-5)15-10-11(18)16-13(2,3)4;/h7-10H2,1-6H3,(H,14,15)(H,16,18);1H
InChIKeySIGYOKNQHDBJOT-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.83
Rot. Bonds5

About N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide

N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide (PubChem CID 111158394) has the molecular formula C13H29IN4O and a molecular weight of 384.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
PubChem CID111158394
Molecular FormulaC13H29IN4O
Molecular Weight384.31 g/mol
Exact Mass384.14
IUPAC NameN-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C13H28N4O.HI/c1-7-8-9-17(6)12(14-5)15-10-11(18)16-13(2,3)4;/h7-10H2,1-6H3,(H,14,15)(H,16,18);1H
InChIKeySIGYOKNQHDBJOT-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-tert-butyl-2-[[ethylamino-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]methylidene]amino]acetamide;hydroiodide
CID 111382764
N-tert-butyl-2-[[ethylamino-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]methylidene]amino]acetamide
CID 111382765
N-tert-butyl-2-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111382896
N-tert-butyl-2-[[N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111384610
N-tert-butyl-2-[[N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]carbamimidoyl]amino]acetamide
CID 111384611
2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111492171
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111493829
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493830
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111493865
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493866
2-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500086
2-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500087

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide (CID 111158394) is N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide is CCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I.
What is the InChIKey of N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The InChIKey is SIGYOKNQHDBJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O.HI/c1-7-8-9-17(6)12(14-5)15-10-11(18)16-13(2,3)4;/h7-10H2,1-6H3,(H,14,15)(H,16,18);1H.
What are the key properties of N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide has a molecular weight of 384.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide is sourced from PubChem (CID 111158394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).