(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine

C9H16N2 — CID 134444000

IUPAC(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine
SMILESC=N/C=C\C(=C/C)CNCC
InChIInChI=1S/C9H16N2/c1-4-9(6-7-10-3)8-11-5-2/h4,6-7,11H,3,5,8H2,1-2H3/b7-6-,9-4+
InChIKeyXWJMOIMFMZYJNX-WSISTYIOSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds5

About (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine

(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine (PubChem CID 134444000) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine
PubChem CID134444000
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine
SMILESC=N/C=C\C(=C/C)CNCC
InChIInChI=1S/C9H16N2/c1-4-9(6-7-10-3)8-11-5-2/h4,6-7,11H,3,5,8H2,1-2H3/b7-6-,9-4+
InChIKeyXWJMOIMFMZYJNX-WSISTYIOSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine (CID 134444000) is (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine is C=N/C=C\C(=C/C)CNCC.
What is the InChIKey of (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine?
The InChIKey is XWJMOIMFMZYJNX-WSISTYIOSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(6-7-10-3)8-11-5-2/h4,6-7,11H,3,5,8H2,1-2H3/b7-6-,9-4+.
What are the key properties of (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine?
(E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 134444000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).