tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate

C27H48N4O4 — CID 158220484

IUPACtert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate
SMILESCN(CC(C)(C)/N=C/c1ccccc1)C(=O)OC(C)(C)C.CN(CC(C)(C)N)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2.C10H22N2O2/c1-16(2,3)21-15(20)19(6)13-17(4,5)18-12-14-10-8-7-9-11-14;1-9(2,3)14-8(13)12(6)7-10(4,5)11/h7-12H,13H2,1-6H3;7,11H2,1-6H3/b18-12+;
InChIKeyGDEIZTPDDHJOEM-XMMWENQYSA-N
MW492.71 g/mol
LogP5.34
Rot. Bonds6

About tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate

tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate (PubChem CID 158220484) has the molecular formula C27H48N4O4 and a molecular weight of 492.71 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate
PubChem CID158220484
Molecular FormulaC27H48N4O4
Molecular Weight492.71 g/mol
Exact Mass492.37
IUPAC Nametert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate
SMILESCN(CC(C)(C)/N=C/c1ccccc1)C(=O)OC(C)(C)C.CN(CC(C)(C)N)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2.C10H22N2O2/c1-16(2,3)21-15(20)19(6)13-17(4,5)18-12-14-10-8-7-9-11-14;1-9(2,3)14-8(13)12(6)7-10(4,5)11/h7-12H,13H2,1-6H3;7,11H2,1-6H3/b18-12+;
InChIKeyGDEIZTPDDHJOEM-XMMWENQYSA-N
XLogP5.34
TPSA97.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl 2-[(benzylideneamino)-methylamino]acetate
CID 171137612
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-[2-[(E)-N-amino-N-phenylcarbamohydrazonoyl]sulfanylethyl]-N-methylcarbamate
CID 139477788
tert-butyl (2S)-2-(benzylideneamino)-3-(2-bromophenyl)propanoate
CID 101250740
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
tert-butyl N-methyl-N-[(2-phenyloxiran-2-yl)methyl]carbamate
CID 54983204
tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 54222238
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate (CID 158220484) is tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate is CN(CC(C)(C)/N=C/c1ccccc1)C(=O)OC(C)(C)C.CN(CC(C)(C)N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate?
The InChIKey is GDEIZTPDDHJOEM-XMMWENQYSA-N. The full InChI is InChI=1S/C17H26N2O2.C10H22N2O2/c1-16(2,3)21-15(20)19(6)13-17(4,5)18-12-14-10-8-7-9-11-14;1-9(2,3)14-8(13)12(6)7-10(4,5)11/h7-12H,13H2,1-6H3;7,11H2,1-6H3/b18-12+;.
What are the key properties of tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate has a molecular weight of 492.71 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-methylpropyl)-N-methylcarbamate;tert-butyl N-[2-(benzylideneamino)-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 158220484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).