but-3-en-2-imine;methanamine

C5H12N2 — CID 171839066

IUPACbut-3-en-2-imine;methanamine
SMILESCN.[H]/N=C(\C)C=C
InChIInChI=1S/C4H7N.CH5N/c1-3-4(2)5;1-2/h3,5H,1H2,2H3;2H2,1H3/b5-4+;
InChIKeyUMGNFNPKDDDADQ-FXRZFVDSSA-N
MW100.16 g/mol
LogP0.79
Rot. Bonds1

About but-3-en-2-imine;methanamine

but-3-en-2-imine;methanamine (PubChem CID 171839066) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is but-3-en-2-imine;methanamine.

Molecular Properties

Compound Namebut-3-en-2-imine;methanamine
PubChem CID171839066
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namebut-3-en-2-imine;methanamine
SMILESCN.[H]/N=C(\C)C=C
InChIInChI=1S/C4H7N.CH5N/c1-3-4(2)5;1-2/h3,5H,1H2,2H3;2H2,1H3/b5-4+;
InChIKeyUMGNFNPKDDDADQ-FXRZFVDSSA-N
XLogP0.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 but-3-en-2-imine;methanamine?
The IUPAC name of but-3-en-2-imine;methanamine (CID 171839066) is but-3-en-2-imine;methanamine.
What is the SMILES notation for but-3-en-2-imine;methanamine?
The canonical SMILES for but-3-en-2-imine;methanamine is CN.[H]/N=C(\C)C=C.
What is the InChIKey of but-3-en-2-imine;methanamine?
The InChIKey is UMGNFNPKDDDADQ-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H7N.CH5N/c1-3-4(2)5;1-2/h3,5H,1H2,2H3;2H2,1H3/b5-4+;.
What are the key properties of but-3-en-2-imine;methanamine?
but-3-en-2-imine;methanamine has a molecular weight of 100.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-imine;methanamine is sourced from PubChem (CID 171839066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).