tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate

C10H21N3O2 — CID 45092215

IUPACtert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate
SMILES[H]/N=C(\N)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C10H21N3O2/c1-6(2)7(8(11)12)13-9(14)15-10(3,4)5/h6-7H,1-5H3,(H3,11,12)(H,13,14)
InChIKeyUVMZGLUHVAHNHH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.47
Rot. Bonds3

About tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate

tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate (PubChem CID 45092215) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate
PubChem CID45092215
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate
SMILES[H]/N=C(\N)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C10H21N3O2/c1-6(2)7(8(11)12)13-9(14)15-10(3,4)5/h6-7H,1-5H3,(H3,11,12)(H,13,14)
InChIKeyUVMZGLUHVAHNHH-UHFFFAOYSA-N
XLogP1.47
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate (CID 45092215) is tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate is [H]/N=C(\N)C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate?
The InChIKey is UVMZGLUHVAHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6(2)7(8(11)12)13-9(14)15-10(3,4)5/h6-7H,1-5H3,(H3,11,12)(H,13,14).
What are the key properties of tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate?
tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate has a molecular weight of 215.30 g/mol, XLogP of 1.47, 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-amino-1-imino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 45092215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).