ethyl (Z)-2-aminobut-2-enimidate

C6H12N2O — CID 163810259

IUPACethyl (Z)-2-aminobut-2-enimidate
SMILES[H]/N=C(OCC)/C(N)=C/C
InChIInChI=1S/C6H12N2O/c1-3-5(7)6(8)9-4-2/h3,8H,4,7H2,1-2H3/b5-3-,8-6-
InChIKeyNMQCAXDZYRYIFI-NIOMPZRHSA-N
MW128.17 g/mol
LogP0.86
Rot. Bonds2

About ethyl (Z)-2-aminobut-2-enimidate

ethyl (Z)-2-aminobut-2-enimidate (PubChem CID 163810259) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is ethyl (Z)-2-aminobut-2-enimidate.

Molecular Properties

Compound Nameethyl (Z)-2-aminobut-2-enimidate
PubChem CID163810259
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Nameethyl (Z)-2-aminobut-2-enimidate
SMILES[H]/N=C(OCC)/C(N)=C/C
InChIInChI=1S/C6H12N2O/c1-3-5(7)6(8)9-4-2/h3,8H,4,7H2,1-2H3/b5-3-,8-6-
InChIKeyNMQCAXDZYRYIFI-NIOMPZRHSA-N
XLogP0.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.86
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 ethyl (Z)-2-aminobut-2-enimidate?
The IUPAC name of ethyl (Z)-2-aminobut-2-enimidate (CID 163810259) is ethyl (Z)-2-aminobut-2-enimidate.
What is the SMILES notation for ethyl (Z)-2-aminobut-2-enimidate?
The canonical SMILES for ethyl (Z)-2-aminobut-2-enimidate is [H]/N=C(OCC)/C(N)=C/C.
What is the InChIKey of ethyl (Z)-2-aminobut-2-enimidate?
The InChIKey is NMQCAXDZYRYIFI-NIOMPZRHSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5(7)6(8)9-4-2/h3,8H,4,7H2,1-2H3/b5-3-,8-6-.
What are the key properties of ethyl (Z)-2-aminobut-2-enimidate?
ethyl (Z)-2-aminobut-2-enimidate has a molecular weight of 128.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-aminobut-2-enimidate is sourced from PubChem (CID 163810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).