(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine

C10H16N2 — CID 146253082

IUPAC(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine
SMILESC=C/C(C)=N/C(C)=C/N/C=C\C
InChIInChI=1S/C10H16N2/c1-5-7-11-8-10(4)12-9(3)6-2/h5-8,11H,2H2,1,3-4H3/b7-5-,10-8+,12-9+
InChIKeyGPXRWBXFAZXLOO-YLUBVZJVSA-N
MW164.25 g/mol
LogP2.62
Rot. Bonds4

About (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine

(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine (PubChem CID 146253082) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine
PubChem CID146253082
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine
SMILESC=C/C(C)=N/C(C)=C/N/C=C\C
InChIInChI=1S/C10H16N2/c1-5-7-11-8-10(4)12-9(3)6-2/h5-8,11H,2H2,1,3-4H3/b7-5-,10-8+,12-9+
InChIKeyGPXRWBXFAZXLOO-YLUBVZJVSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.62
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)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine?
The IUPAC name of (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine (CID 146253082) is (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine?
The canonical SMILES for (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine is C=C/C(C)=N/C(C)=C/N/C=C\C.
What is the InChIKey of (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine?
The InChIKey is GPXRWBXFAZXLOO-YLUBVZJVSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-11-8-10(4)12-9(3)6-2/h5-8,11H,2H2,1,3-4H3/b7-5-,10-8+,12-9+.
What are the key properties of (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine?
(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine is sourced from PubChem (CID 146253082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).