tert-butyl [ethyl(propan-2-yl)amino] carbonate

C10H21NO3 — CID 123302380

IUPACtert-butyl [ethyl(propan-2-yl)amino] carbonate
SMILESCCN(OC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C10H21NO3/c1-7-11(8(2)3)14-9(12)13-10(4,5)6/h8H,7H2,1-6H3
InChIKeyNACGDCSIJJEZLR-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl [ethyl(propan-2-yl)amino] carbonate

tert-butyl [ethyl(propan-2-yl)amino] carbonate (PubChem CID 123302380) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl [ethyl(propan-2-yl)amino] carbonate.

Molecular Properties

Compound Nametert-butyl [ethyl(propan-2-yl)amino] carbonate
PubChem CID123302380
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl [ethyl(propan-2-yl)amino] carbonate
SMILESCCN(OC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C10H21NO3/c1-7-11(8(2)3)14-9(12)13-10(4,5)6/h8H,7H2,1-6H3
InChIKeyNACGDCSIJJEZLR-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
CID 159004388
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl carboxy carbonate;N,N-diethylethanamine
CID 158174670
tert-butyl pentan-3-yl carbonate
CID 88907075
[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
CID 59417245
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
tert-butyl phosphonooxymethyl carbonate
CID 89472425

Frequently Asked Questions

What is the IUPAC name of tert-butyl [ethyl(propan-2-yl)amino] carbonate?
The IUPAC name of tert-butyl [ethyl(propan-2-yl)amino] carbonate (CID 123302380) is tert-butyl [ethyl(propan-2-yl)amino] carbonate.
What is the SMILES notation for tert-butyl [ethyl(propan-2-yl)amino] carbonate?
The canonical SMILES for tert-butyl [ethyl(propan-2-yl)amino] carbonate is CCN(OC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl [ethyl(propan-2-yl)amino] carbonate?
The InChIKey is NACGDCSIJJEZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7-11(8(2)3)14-9(12)13-10(4,5)6/h8H,7H2,1-6H3.
What are the key properties of tert-butyl [ethyl(propan-2-yl)amino] carbonate?
tert-butyl [ethyl(propan-2-yl)amino] carbonate has a molecular weight of 203.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [ethyl(propan-2-yl)amino] carbonate is sourced from PubChem (CID 123302380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).