(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine

C8H14N2 — CID 144857309

IUPAC(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine
SMILESC/C=C\C=N\C/C=C\CN
InChIInChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-5,7H,6,8-9H2,1H3/b3-2-,5-4-,10-7+
InChIKeyAEMCZNCCPJODCW-ZVJQYIQASA-N
MW138.21 g/mol
LogP1.15
Rot. Bonds4

About (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine

(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine (PubChem CID 144857309) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine
PubChem CID144857309
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine
SMILESC/C=C\C=N\C/C=C\CN
InChIInChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-5,7H,6,8-9H2,1H3/b3-2-,5-4-,10-7+
InChIKeyAEMCZNCCPJODCW-ZVJQYIQASA-N
XLogP1.15
TPSA38.38 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine?
The IUPAC name of (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine (CID 144857309) is (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine.
What is the SMILES notation for (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine?
The canonical SMILES for (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine is C/C=C\C=N\C/C=C\CN.
What is the InChIKey of (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine?
The InChIKey is AEMCZNCCPJODCW-ZVJQYIQASA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-5,7H,6,8-9H2,1H3/b3-2-,5-4-,10-7+.
What are the key properties of (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine?
(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine is sourced from PubChem (CID 144857309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).