tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate

C11H23N3O2 — CID 111801484

IUPACtert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate
SMILESCCN(CC)/C(N)=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(12)13-8-9(15)16-11(3,4)5/h6-8H2,1-5H3,(H2,12,13)
InChIKeyCWLOOLMFDUDNMX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.98
Rot. Bonds4

About tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate

tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate (PubChem CID 111801484) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate
PubChem CID111801484
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nametert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate
SMILESCCN(CC)/C(N)=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(12)13-8-9(15)16-11(3,4)5/h6-8H2,1-5H3,(H2,12,13)
InChIKeyCWLOOLMFDUDNMX-UHFFFAOYSA-N
XLogP0.98
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
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 2-[(1,3-diethylimidazolidin-2-ylidene)amino]acetate
CID 134859643
Tert-butyl 2-[carbamimidoyl(methyl)amino]acetate
CID 9920576
Tert-butyl 2-[carbamimidoyl(methyl)amino]acetate;hydrochloride
CID 87351346
tert-butyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 89238038
tert-butyl 2-[[(Z)-N'-hydroxycarbamimidoyl]-methylamino]acetate
CID 121408708
tert-butyl 2-[[(Z)-N'-hydroxycarbamimidoyl]-(trideuteriomethyl)amino]acetate
CID 121408729
Tert-butyl 2-(2-hydroxy-1-methylguanidino)acetate
CID 131748315
tert-butyl 2-[(N'-hydroxycarbamimidoyl)-(trideuteriomethyl)amino]acetate
CID 154407895
tert-butyl 2-[(N,N'-dimethylcarbamimidoyl)amino]acetate;hydroiodide
CID 111424418
tert-butyl 2-[(N,N'-dimethylcarbamimidoyl)amino]acetate
CID 111424419
Tert-butyl 2-[[amino-(butan-2-ylamino)methylidene]amino]acetate
CID 111424421
Tert-butyl 2-[bis(ethylamino)methylideneamino]acetate;hydroiodide
CID 111424426

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate?
The IUPAC name of tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate (CID 111801484) is tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate?
The canonical SMILES for tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate is CCN(CC)/C(N)=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate?
The InChIKey is CWLOOLMFDUDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-14(7-2)10(12)13-8-9(15)16-11(3,4)5/h6-8H2,1-5H3,(H2,12,13).
What are the key properties of tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate?
tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate is sourced from PubChem (CID 111801484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).