tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate

C11H21N3O2 — CID 131182277

IUPACtert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NCC#N
InChIInChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)13-8-11(4,5)14-7-6-12/h14H,7-8H2,1-5H3,(H,13,15)
InChIKeyBHGZBTPQDVWWBW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate

tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate (PubChem CID 131182277) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate
PubChem CID131182277
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NCC#N
InChIInChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)13-8-11(4,5)14-7-6-12/h14H,7-8H2,1-5H3,(H,13,15)
InChIKeyBHGZBTPQDVWWBW-UHFFFAOYSA-N
XLogP1.40
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[6-[(2-cyanoethanethioyl)amino]hexyl]carbamate
CID 142274791
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
CID 126816987
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate (CID 131182277) is tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)NCC#N.
What is the InChIKey of tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate?
The InChIKey is BHGZBTPQDVWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)13-8-11(4,5)14-7-6-12/h14H,7-8H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate?
tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate has a molecular weight of 227.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate is sourced from PubChem (CID 131182277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).