tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate

C14H30N4O2 — CID 111757731

IUPACtert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N4O2/c1-12(2,3)17-10(15)16-9-14(7,8)18-11(19)20-13(4,5)6/h9H2,1-8H3,(H,18,19)(H3,15,16,17)
InChIKeyHEDUBMUIJYAAIU-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate (PubChem CID 111757731) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
PubChem CID111757731
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Nametert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N4O2/c1-12(2,3)17-10(15)16-9-14(7,8)18-11(19)20-13(4,5)6/h9H2,1-8H3,(H,18,19)(H3,15,16,17)
InChIKeyHEDUBMUIJYAAIU-UHFFFAOYSA-N
XLogP1.99
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]pentan-3-yl]carbamate
CID 111757891
tert-butyl N-[1-[[amino-(3-methylbutylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757746
tert-butyl N-[1-[[amino-(4-ethylanilino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757740
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
tert-butyl N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110026948
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-3-methylbutan-2-yl]carbamate
CID 111812782
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-[1-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757718
1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111089051
tert-butyl N-[1-[[butylamino(ethylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111772583
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
CID 63365218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate (CID 111757731) is tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate is CC(C)(C)N/C(N)=N/CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is HEDUBMUIJYAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-12(2,3)17-10(15)16-9-14(7,8)18-11(19)20-13(4,5)6/h9H2,1-8H3,(H,18,19)(H3,15,16,17).
What are the key properties of tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 111757731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).