ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate

C6H14N4O2 — CID 176522000

IUPACethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate
SMILES[H]/N=C(/NN=C(N)OCC)OCC
InChIInChI=1S/C6H14N4O2/c1-3-11-5(7)9-10-6(8)12-4-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyLTXVJESPNDPHGU-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.19
Rot. Bonds3

About ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate

ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate (PubChem CID 176522000) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate.

Molecular Properties

Compound Nameethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate
PubChem CID176522000
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Nameethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate
SMILES[H]/N=C(/NN=C(N)OCC)OCC
InChIInChI=1S/C6H14N4O2/c1-3-11-5(7)9-10-6(8)12-4-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyLTXVJESPNDPHGU-UHFFFAOYSA-N
XLogP-0.19
TPSA92.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate?
The IUPAC name of ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate (CID 176522000) is ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate.
What is the SMILES notation for ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate?
The canonical SMILES for ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate is [H]/N=C(/NN=C(N)OCC)OCC.
What is the InChIKey of ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate?
The InChIKey is LTXVJESPNDPHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3-11-5(7)9-10-6(8)12-4-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate?
ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate has a molecular weight of 174.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[amino(ethoxy)methylidene]amino]carbamimidate is sourced from PubChem (CID 176522000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).