tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate

C12H23N3O2 — CID 166448461

IUPACtert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate
SMILESCC(C)(C)N=C=NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)15-9-13-7-8-14-10(16)17-12(4,5)6/h7-8H2,1-6H3,(H,14,16)
InChIKeyJDPDVIIHDOVVQF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate

tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate (PubChem CID 166448461) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate
PubChem CID166448461
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate
SMILESCC(C)(C)N=C=NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)15-9-13-7-8-14-10(16)17-12(4,5)6/h7-8H2,1-6H3,(H,14,16)
InChIKeyJDPDVIIHDOVVQF-UHFFFAOYSA-N
XLogP2.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-BOC-ethylenediamine
CID 187201
N-(tert-Butoxycarbonyl)-N'-methylethylenediamine
CID 3435744
tert-butyl N-(1,3-diaminopropan-2-yl)carbamate
CID 11084635
tert-butyl N-(2-(ethylamino)ethyl)carbamate
CID 13855174
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 45072480
N1-Boc-2,2'-iminodiethylamine
CID 3621142
tert-butyl N-(1-aminopropan-2-yl)carbamate
CID 11321251
tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate
CID 15030821
tert-butyl N-{2-[(propan-2-yl)amino]ethyl}carbamate
CID 16743802
Carbamic acid, N-[2-(methylamino)ethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CID 17750353
tert-butyl N-(2-amino-2-methylpropyl)carbamate
CID 17909918
tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate
CID 24256598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate (CID 166448461) is tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate is CC(C)(C)N=C=NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate?
The InChIKey is JDPDVIIHDOVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,3)15-9-13-7-8-14-10(16)17-12(4,5)6/h7-8H2,1-6H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate?
tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate is sourced from PubChem (CID 166448461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).