tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate

C16H32N2O3 — CID 107445850

IUPACtert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
SMILESCC1(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)COC1
InChIInChI=1S/C16H32N2O3/c1-14(2,3)18(13(19)21-15(4,5)6)9-8-17-10-16(7)11-20-12-16/h17H,8-12H2,1-7H3
InChIKeyBFRYPQCRZPXCND-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate (PubChem CID 107445850) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
PubChem CID107445850
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
SMILESCC1(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)COC1
InChIInChI=1S/C16H32N2O3/c1-14(2,3)18(13(19)21-15(4,5)6)9-8-17-10-16(7)11-20-12-16/h17H,8-12H2,1-7H3
InChIKeyBFRYPQCRZPXCND-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate
CID 107242741
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]ethyl]carbamate
CID 107445831
tert-butyl N-tert-butyl-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]carbamate
CID 106144990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate (CID 107445850) is tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate is CC1(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)COC1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate?
The InChIKey is BFRYPQCRZPXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-14(2,3)18(13(19)21-15(4,5)6)9-8-17-10-16(7)11-20-12-16/h17H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 107445850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).