[(E)-butan-2-ylideneamino] ethanimidate

C6H12N2O — CID 11587574

IUPAC[(E)-butan-2-ylideneamino] ethanimidate
SMILES[H]/N=C(\C)O/N=C(\C)CC
InChIInChI=1S/C6H12N2O/c1-4-5(2)8-9-6(3)7/h7H,4H2,1-3H3/b7-6+,8-5+
InChIKeyBOOKGGNFWWRSTL-ZCOYIIAOSA-N
MW128.17 g/mol
LogP1.79
Rot. Bonds2

About [(E)-butan-2-ylideneamino] ethanimidate

[(E)-butan-2-ylideneamino] ethanimidate (PubChem CID 11587574) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is [(E)-butan-2-ylideneamino] ethanimidate.

Molecular Properties

Compound Name[(E)-butan-2-ylideneamino] ethanimidate
PubChem CID11587574
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name[(E)-butan-2-ylideneamino] ethanimidate
SMILES[H]/N=C(\C)O/N=C(\C)CC
InChIInChI=1S/C6H12N2O/c1-4-5(2)8-9-6(3)7/h7H,4H2,1-3H3/b7-6+,8-5+
InChIKeyBOOKGGNFWWRSTL-ZCOYIIAOSA-N
XLogP1.79
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.79
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(butan-2-ylideneamino) carbamate
CID 54343836
1-butan-2-ylideneguanidine
CID 161053722
[(E)-butan-2-ylideneamino] carbonochloridate
CID 11051834
(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
CID 143053134
N-silyloxybutan-2-imine
CID 123155500
O-(butan-2-ylideneamino)hydroxylamine
CID 141086083
N-ethoxybutan-2-imine
CID 54202913
N-methylsilyloxybutan-2-imine
CID 123529923
N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
CID 54447675
CID 23534073
CID 23534073
[(E)-3-oxobutan-2-ylideneamino] propanimidate
CID 11763670
(butan-2-ylideneamino) N-[6-[[(E)-butan-2-ylideneamino]oxycarbonylamino]hexyl]carbamate
CID 153406535

Frequently Asked Questions

What is the IUPAC name of [(E)-butan-2-ylideneamino] ethanimidate?
The IUPAC name of [(E)-butan-2-ylideneamino] ethanimidate (CID 11587574) is [(E)-butan-2-ylideneamino] ethanimidate.
What is the SMILES notation for [(E)-butan-2-ylideneamino] ethanimidate?
The canonical SMILES for [(E)-butan-2-ylideneamino] ethanimidate is [H]/N=C(\C)O/N=C(\C)CC.
What is the InChIKey of [(E)-butan-2-ylideneamino] ethanimidate?
The InChIKey is BOOKGGNFWWRSTL-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(2)8-9-6(3)7/h7H,4H2,1-3H3/b7-6+,8-5+.
What are the key properties of [(E)-butan-2-ylideneamino] ethanimidate?
[(E)-butan-2-ylideneamino] ethanimidate has a molecular weight of 128.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-butan-2-ylideneamino] ethanimidate is sourced from PubChem (CID 11587574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).