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

C9H20N4O — CID 75532327

IUPACN-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\NC)NCC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N4O/c1-9(2,3)13-7(14)6-12-8(10-4)11-5/h6H2,1-5H3,(H,13,14)(H2,10,11,12)
InChIKeyVUFSESFMTNQLPR-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.30
Rot. Bonds2

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

N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide (PubChem CID 75532327) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
PubChem CID75532327
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\NC)NCC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N4O/c1-9(2,3)13-7(14)6-12-8(10-4)11-5/h6H2,1-5H3,(H,13,14)(H2,10,11,12)
InChIKeyVUFSESFMTNQLPR-UHFFFAOYSA-N
XLogP-0.30
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.30
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'}

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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-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820
N-tert-butyl-2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111607489
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
methyl 3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111383586
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111128588
methyl 3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111383585
tert-butyl N-[1-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]-2-methylpropan-2-yl]carbamate
CID 111776144
N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 111831722

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide (CID 75532327) is N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide is C/N=C(\NC)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide?
The InChIKey is VUFSESFMTNQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-9(2,3)13-7(14)6-12-8(10-4)11-5/h6H2,1-5H3,(H,13,14)(H2,10,11,12).
What are the key properties of N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide?
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide has a molecular weight of 200.29 g/mol, XLogP of -0.30, 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,N'-dimethylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 75532327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).