N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide

C10H23IN4O — CID 111384012

IUPACN-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESCCN/C(=N\C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C10H22N4O.HI/c1-6-12-9(11-5)13-7-8(15)14-10(2,3)4;/h6-7H2,1-5H3,(H,14,15)(H2,11,12,13);1H
InChIKeyUZYKHLDBLNOHCS-UHFFFAOYSA-N
MW342.23 g/mol
LogP0.70
Rot. Bonds3

About N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide

N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide (PubChem CID 111384012) has the molecular formula C10H23IN4O and a molecular weight of 342.23 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
PubChem CID111384012
Molecular FormulaC10H23IN4O
Molecular Weight342.23 g/mol
Exact Mass342.09
IUPAC NameN-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESCCN/C(=N\C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C10H22N4O.HI/c1-6-12-9(11-5)13-7-8(15)14-10(2,3)4;/h6-7H2,1-5H3,(H,14,15)(H2,11,12,13);1H
InChIKeyUZYKHLDBLNOHCS-UHFFFAOYSA-N
XLogP0.70
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
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-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111128588
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128589
methyl 3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111383585
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111240098
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-[[N-[2-(dimethylamino)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383187
N-tert-butyl-2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111607489
4-[[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide
CID 111382644
2-[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111499730

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide (CID 111384012) is N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide is CCN/C(=N\C)NCC(=O)NC(C)(C)C.I.
What is the InChIKey of N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The InChIKey is UZYKHLDBLNOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O.HI/c1-6-12-9(11-5)13-7-8(15)14-10(2,3)4;/h6-7H2,1-5H3,(H,14,15)(H2,11,12,13);1H.
What are the key properties of N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide has a molecular weight of 342.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide is sourced from PubChem (CID 111384012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).