tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate

C10H21N3O2 — CID 142077528

IUPACtert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate
SMILESCC/N=C(\N)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-6-12-8(11)13(7-2)9(14)15-10(3,4)5/h6-7H2,1-5H3,(H2,11,12)
InChIKeyAMRXYBBPXVUVLL-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate

tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate (PubChem CID 142077528) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate
PubChem CID142077528
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate
SMILESCC/N=C(\N)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-6-12-8(11)13(7-2)9(14)15-10(3,4)5/h6-7H2,1-5H3,(H2,11,12)
InChIKeyAMRXYBBPXVUVLL-UHFFFAOYSA-N
XLogP1.58
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate (CID 142077528) is tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate is CC/N=C(\N)N(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate?
The InChIKey is AMRXYBBPXVUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6-12-8(11)13(7-2)9(14)15-10(3,4)5/h6-7H2,1-5H3,(H2,11,12).
What are the key properties of tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate?
tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate has a molecular weight of 215.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(N'-ethylcarbamimidoyl)carbamate is sourced from PubChem (CID 142077528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).