(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine

C8H14N2 — CID 135231414

IUPAC(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine
SMILESC/C=N/C=C\C(=C/C)CN
InChIInChI=1S/C8H14N2/c1-3-8(7-9)5-6-10-4-2/h3-6H,7,9H2,1-2H3/b6-5-,8-3+,10-4+
InChIKeyVHNUGKRGKBYLHR-IGINOJSBSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds3

About (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine

(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine (PubChem CID 135231414) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine
PubChem CID135231414
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine
SMILESC/C=N/C=C\C(=C/C)CN
InChIInChI=1S/C8H14N2/c1-3-8(7-9)5-6-10-4-2/h3-6H,7,9H2,1-2H3/b6-5-,8-3+,10-4+
InChIKeyVHNUGKRGKBYLHR-IGINOJSBSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
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)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine?
The IUPAC name of (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine (CID 135231414) is (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine.
What is the SMILES notation for (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine?
The canonical SMILES for (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine is C/C=N/C=C\C(=C/C)CN.
What is the InChIKey of (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine?
The InChIKey is VHNUGKRGKBYLHR-IGINOJSBSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(7-9)5-6-10-4-2/h3-6H,7,9H2,1-2H3/b6-5-,8-3+,10-4+.
What are the key properties of (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine?
(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 135231414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).