tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate

C12H26N4O2 — CID 111498039

IUPACtert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate
SMILESC/N=C(\NC)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N4O2/c1-11(2,3)18-10(17)16-12(4,5)8-15-9(13-6)14-7/h8H2,1-7H3,(H,16,17)(H2,13,14,15)
InChIKeyMWXGBCNDUAZENN-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.08
Rot. Bonds3

About tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 111498039) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID111498039
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Nametert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate
SMILESC/N=C(\NC)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N4O2/c1-11(2,3)18-10(17)16-12(4,5)8-15-9(13-6)14-7/h8H2,1-7H3,(H,16,17)(H2,13,14,15)
InChIKeyMWXGBCNDUAZENN-UHFFFAOYSA-N
XLogP1.08
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

tert-butyl N-[1-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]-2-methylpropan-2-yl]carbamate
CID 111776144
tert-butyl N-[2-methyl-1-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propan-2-yl]carbamate
CID 111774992
tert-butyl N-[2-methyl-1-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]propan-2-yl]carbamate;hydroiodide
CID 111774027
tert-butyl N-[1-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111773765
tert-butyl N-[2-methyl-1-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propan-2-yl]carbamate;hydroiodide
CID 111775671
tert-butyl N-[1-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111773271
tert-butyl N-[2-methyl-1-[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]propan-2-yl]carbamate
CID 111775952
tert-butyl N-[2-methyl-1-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propan-2-yl]carbamate
CID 111771600
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110029275
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate (CID 111498039) is tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate is C/N=C(\NC)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is MWXGBCNDUAZENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-11(2,3)18-10(17)16-12(4,5)8-15-9(13-6)14-7/h8H2,1-7H3,(H,16,17)(H2,13,14,15).
What are the key properties of tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 258.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 111498039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).