ethanimidoyl 2-methylpropanimidate

C6H12N2O — CID 153001593

IUPACethanimidoyl 2-methylpropanimidate
SMILES[H]/N=C(\O/C(C)=N/[H])C(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)6(8)9-5(3)7/h4,7-8H,1-3H3/b7-5+,8-6-
InChIKeyUYGOJSJFVDPFFL-YMBWGVAGSA-N
MW128.17 g/mol
LogP1.63
Rot. Bonds1

About ethanimidoyl 2-methylpropanimidate

ethanimidoyl 2-methylpropanimidate (PubChem CID 153001593) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is ethanimidoyl 2-methylpropanimidate.

Molecular Properties

Compound Nameethanimidoyl 2-methylpropanimidate
PubChem CID153001593
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Nameethanimidoyl 2-methylpropanimidate
SMILES[H]/N=C(\O/C(C)=N/[H])C(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)6(8)9-5(3)7/h4,7-8H,1-3H3/b7-5+,8-6-
InChIKeyUYGOJSJFVDPFFL-YMBWGVAGSA-N
XLogP1.63
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.63
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 ethanimidoyl 2-methylpropanimidate?
The IUPAC name of ethanimidoyl 2-methylpropanimidate (CID 153001593) is ethanimidoyl 2-methylpropanimidate.
What is the SMILES notation for ethanimidoyl 2-methylpropanimidate?
The canonical SMILES for ethanimidoyl 2-methylpropanimidate is [H]/N=C(\O/C(C)=N/[H])C(C)C.
What is the InChIKey of ethanimidoyl 2-methylpropanimidate?
The InChIKey is UYGOJSJFVDPFFL-YMBWGVAGSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)6(8)9-5(3)7/h4,7-8H,1-3H3/b7-5+,8-6-.
What are the key properties of ethanimidoyl 2-methylpropanimidate?
ethanimidoyl 2-methylpropanimidate has a molecular weight of 128.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 2-methylpropanimidate is sourced from PubChem (CID 153001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).