(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine

C8H14N2 — CID 129210091

IUPAC(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine
SMILESC/C=C\N=C\C=C\CNC
InChIInChI=1S/C8H14N2/c1-3-6-10-8-5-4-7-9-2/h3-6,8-9H,7H2,1-2H3/b5-4+,6-3-,10-8+
InChIKeyXAEDLIBEDQNUIZ-WNWYXKMNSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds4

About (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine

(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine (PubChem CID 129210091) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine
PubChem CID129210091
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine
SMILESC/C=C\N=C\C=C\CNC
InChIInChI=1S/C8H14N2/c1-3-6-10-8-5-4-7-9-2/h3-6,8-9H,7H2,1-2H3/b5-4+,6-3-,10-8+
InChIKeyXAEDLIBEDQNUIZ-WNWYXKMNSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
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 (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine?
The IUPAC name of (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine (CID 129210091) is (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine is C/C=C\N=C\C=C\CNC.
What is the InChIKey of (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine?
The InChIKey is XAEDLIBEDQNUIZ-WNWYXKMNSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-6-10-8-5-4-7-9-2/h3-6,8-9H,7H2,1-2H3/b5-4+,6-3-,10-8+.
What are the key properties of (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine?
(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine is sourced from PubChem (CID 129210091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).