methyl 2-[[amino(ethylamino)methylidene]amino]acetate

C6H13N3O2 — CID 62362395

IUPACmethyl 2-[[amino(ethylamino)methylidene]amino]acetate
SMILESCCN/C(N)=N/CC(=O)OC
InChIInChI=1S/C6H13N3O2/c1-3-8-6(7)9-4-5(10)11-2/h3-4H2,1-2H3,(H3,7,8,9)
InChIKeyDNFWRAHSGDLFGD-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.92
Rot. Bonds3

About methyl 2-[[amino(ethylamino)methylidene]amino]acetate

methyl 2-[[amino(ethylamino)methylidene]amino]acetate (PubChem CID 62362395) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 2-[[amino(ethylamino)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[amino(ethylamino)methylidene]amino]acetate
PubChem CID62362395
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Namemethyl 2-[[amino(ethylamino)methylidene]amino]acetate
SMILESCCN/C(N)=N/CC(=O)OC
InChIInChI=1S/C6H13N3O2/c1-3-8-6(7)9-4-5(10)11-2/h3-4H2,1-2H3,(H3,7,8,9)
InChIKeyDNFWRAHSGDLFGD-UHFFFAOYSA-N
XLogP-0.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[amino(ethylamino)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[amino(ethylamino)methylidene]amino]acetate (CID 62362395) is methyl 2-[[amino(ethylamino)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[amino(ethylamino)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[amino(ethylamino)methylidene]amino]acetate is CCN/C(N)=N/CC(=O)OC.
What is the InChIKey of methyl 2-[[amino(ethylamino)methylidene]amino]acetate?
The InChIKey is DNFWRAHSGDLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-8-6(7)9-4-5(10)11-2/h3-4H2,1-2H3,(H3,7,8,9).
What are the key properties of methyl 2-[[amino(ethylamino)methylidene]amino]acetate?
methyl 2-[[amino(ethylamino)methylidene]amino]acetate has a molecular weight of 159.19 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[amino(ethylamino)methylidene]amino]acetate is sourced from PubChem (CID 62362395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).