(E)-N-methylbut-2-en-1-amine

C5H11N — CID 10986151

IUPAC(E)-N-methylbut-2-en-1-amine
SMILESC/C=C/CNC
InChIInChI=1S/C5H11N/c1-3-4-5-6-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyUUBPFQGETKBNFO-ONEGZZNKSA-N
MW85.15 g/mol
LogP0.78
Rot. Bonds2

About (E)-N-methylbut-2-en-1-amine

(E)-N-methylbut-2-en-1-amine (PubChem CID 10986151) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (E)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methylbut-2-en-1-amine
PubChem CID10986151
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(E)-N-methylbut-2-en-1-amine
SMILESC/C=C/CNC
InChIInChI=1S/C5H11N/c1-3-4-5-6-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyUUBPFQGETKBNFO-ONEGZZNKSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylbut-2-en-1-amine?
The IUPAC name of (E)-N-methylbut-2-en-1-amine (CID 10986151) is (E)-N-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N-methylbut-2-en-1-amine is C/C=C/CNC.
What is the InChIKey of (E)-N-methylbut-2-en-1-amine?
The InChIKey is UUBPFQGETKBNFO-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11N/c1-3-4-5-6-2/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-N-methylbut-2-en-1-amine?
(E)-N-methylbut-2-en-1-amine has a molecular weight of 85.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 10986151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).