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

C5H11N — CID 20657650

IUPAC(E)-N-methylbut-2-en-2-amine
SMILESC/C=C(\C)NC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h4,6H,1-3H3/b5-4+
InChIKeyLEBGAAUJVMRKPP-SNAWJCMRSA-N
MW85.15 g/mol
LogP1.13
Rot. Bonds1

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

(E)-N-methylbut-2-en-2-amine (PubChem CID 20657650) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (E)-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-methylbut-2-en-2-amine
PubChem CID20657650
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(E)-N-methylbut-2-en-2-amine
SMILESC/C=C(\C)NC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h4,6H,1-3H3/b5-4+
InChIKeyLEBGAAUJVMRKPP-SNAWJCMRSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylbut-2-en-2-amine?
The IUPAC name of (E)-N-methylbut-2-en-2-amine (CID 20657650) is (E)-N-methylbut-2-en-2-amine.
What is the SMILES notation for (E)-N-methylbut-2-en-2-amine?
The canonical SMILES for (E)-N-methylbut-2-en-2-amine is C/C=C(\C)NC.
What is the InChIKey of (E)-N-methylbut-2-en-2-amine?
The InChIKey is LEBGAAUJVMRKPP-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2)6-3/h4,6H,1-3H3/b5-4+.
What are the key properties of (E)-N-methylbut-2-en-2-amine?
(E)-N-methylbut-2-en-2-amine has a molecular weight of 85.15 g/mol, XLogP of 1.13, 1 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-2-amine is sourced from PubChem (CID 20657650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).