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

C12H27IN4O — CID 110965911

IUPACN-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NC(C)(C)C.I
InChIInChI=1S/C12H26N4O.HI/c1-11(2,3)15-9(17)8-14-10(13-7)16-12(4,5)6;/h8H2,1-7H3,(H,15,17)(H2,13,14,16);1H
InChIKeyLEFUBLLOAGGFSG-UHFFFAOYSA-N
MW370.28 g/mol
LogP1.48
Rot. Bonds2

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

N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide (PubChem CID 110965911) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
PubChem CID110965911
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC NameN-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NC(C)(C)C.I
InChIInChI=1S/C12H26N4O.HI/c1-11(2,3)15-9(17)8-14-10(13-7)16-12(4,5)6;/h8H2,1-7H3,(H,15,17)(H2,13,14,16);1H
InChIKeyLEFUBLLOAGGFSG-UHFFFAOYSA-N
XLogP1.48
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 51.48
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-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111128588
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820
methyl 3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111383585
N-tert-butyl-2-[[N-[2-(dimethylamino)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383187
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128589
N-tert-butyl-2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111607489
N-tert-butyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111248158
methyl 3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111383586
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111240098

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide (CID 110965911) is N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide is C/N=C(\NCC(=O)NC(C)(C)C)NC(C)(C)C.I.
What is the InChIKey of N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
The InChIKey is LEFUBLLOAGGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-11(2,3)15-9(17)8-14-10(13-7)16-12(4,5)6;/h8H2,1-7H3,(H,15,17)(H2,13,14,16);1H.
What are the key properties of N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide?
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 1.48, 2 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-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide is sourced from PubChem (CID 110965911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).