N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide

C10H22N4O — CID 111383504

IUPACN-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide
SMILESC/N=C(/NCC(=O)NC(C)(C)C)N(C)C
InChIInChI=1S/C10H22N4O/c1-10(2,3)13-8(15)7-12-9(11-4)14(5)6/h7H2,1-6H3,(H,11,12)(H,13,15)
InChIKeyLQALMICIRQLDGH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.04
Rot. Bonds2

About N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide

N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide (PubChem CID 111383504) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide
PubChem CID111383504
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide
SMILESC/N=C(/NCC(=O)NC(C)(C)C)N(C)C
InChIInChI=1S/C10H22N4O/c1-10(2,3)13-8(15)7-12-9(11-4)14(5)6/h7H2,1-6H3,(H,11,12)(H,13,15)
InChIKeyLQALMICIRQLDGH-UHFFFAOYSA-N
XLogP0.04
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.04
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'}

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Related Compounds

N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111158394
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
N-tert-butyl-2-[[N-[2-(dimethylamino)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383187
N-tert-butyl-2-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111299997
N-tert-butyl-2-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111299996
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
tert-butyl N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 111385196
N-tert-butyl-2-[[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]amino]acetamide
CID 111501505
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284
N-tert-butyl-2-[[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111501504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide (CID 111383504) is N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide is C/N=C(/NCC(=O)NC(C)(C)C)N(C)C.
What is the InChIKey of N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide?
The InChIKey is LQALMICIRQLDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-10(2,3)13-8(15)7-12-9(11-4)14(5)6/h7H2,1-6H3,(H,11,12)(H,13,15).
What are the key properties of N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide?
N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.04, 2 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,N,N'-trimethylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 111383504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).