N-[(E)-butylideneamino]-N-methylformamide

C6H12N2O — CID 90474166

IUPACN-[(E)-butylideneamino]-N-methylformamide
SMILESCCC/C=N/N(C)C=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8(2)6-9/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyRRYRDWYHGYXCIB-FNORWQNLSA-N
MW128.17 g/mol
LogP0.86
Rot. Bonds4

About N-[(E)-butylideneamino]-N-methylformamide

N-[(E)-butylideneamino]-N-methylformamide (PubChem CID 90474166) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[(E)-butylideneamino]-N-methylformamide.

Molecular Properties

Compound NameN-[(E)-butylideneamino]-N-methylformamide
PubChem CID90474166
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[(E)-butylideneamino]-N-methylformamide
SMILESCCC/C=N/N(C)C=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8(2)6-9/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyRRYRDWYHGYXCIB-FNORWQNLSA-N
XLogP0.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(E)-butylideneamino]-N-methylformamide?
The IUPAC name of N-[(E)-butylideneamino]-N-methylformamide (CID 90474166) is N-[(E)-butylideneamino]-N-methylformamide.
What is the SMILES notation for N-[(E)-butylideneamino]-N-methylformamide?
The canonical SMILES for N-[(E)-butylideneamino]-N-methylformamide is CCC/C=N/N(C)C=O.
What is the InChIKey of N-[(E)-butylideneamino]-N-methylformamide?
The InChIKey is RRYRDWYHGYXCIB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-5-7-8(2)6-9/h5-6H,3-4H2,1-2H3/b7-5+.
What are the key properties of N-[(E)-butylideneamino]-N-methylformamide?
N-[(E)-butylideneamino]-N-methylformamide has a molecular weight of 128.17 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butylideneamino]-N-methylformamide is sourced from PubChem (CID 90474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).