2-(but-3-en-2-ylideneamino)ethanamine

C6H12N2 — CID 138507977

IUPAC2-(but-3-en-2-ylideneamino)ethanamine
SMILESC=C/C(C)=N/CCN
InChIInChI=1S/C6H12N2/c1-3-6(2)8-5-4-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyYEZHBLFXSFLGBJ-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 2-(but-3-en-2-ylideneamino)ethanamine

2-(but-3-en-2-ylideneamino)ethanamine (PubChem CID 138507977) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(but-3-en-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name2-(but-3-en-2-ylideneamino)ethanamine
PubChem CID138507977
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(but-3-en-2-ylideneamino)ethanamine
SMILESC=C/C(C)=N/CCN
InChIInChI=1S/C6H12N2/c1-3-6(2)8-5-4-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyYEZHBLFXSFLGBJ-SOFGYWHQSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylideneamino)ethanamine?
The IUPAC name of 2-(but-3-en-2-ylideneamino)ethanamine (CID 138507977) is 2-(but-3-en-2-ylideneamino)ethanamine.
What is the SMILES notation for 2-(but-3-en-2-ylideneamino)ethanamine?
The canonical SMILES for 2-(but-3-en-2-ylideneamino)ethanamine is C=C/C(C)=N/CCN.
What is the InChIKey of 2-(but-3-en-2-ylideneamino)ethanamine?
The InChIKey is YEZHBLFXSFLGBJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(2)8-5-4-7/h3H,1,4-5,7H2,2H3/b8-6+.
What are the key properties of 2-(but-3-en-2-ylideneamino)ethanamine?
2-(but-3-en-2-ylideneamino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylideneamino)ethanamine is sourced from PubChem (CID 138507977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).