(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine

C8H14N2 — CID 144876720

IUPAC(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine
SMILES[H]/N=C/C=C\CNC/C=C\C
InChIInChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-6,9-10H,7-8H2,1H3/b3-2-,5-4-,9-6+
InChIKeyKLENFSIXMSIVJE-VALGBMKLSA-N
MW138.21 g/mol
LogP1.36
Rot. Bonds5

About (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine

(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine (PubChem CID 144876720) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine
PubChem CID144876720
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine
SMILES[H]/N=C/C=C\CNC/C=C\C
InChIInChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-6,9-10H,7-8H2,1H3/b3-2-,5-4-,9-6+
InChIKeyKLENFSIXMSIVJE-VALGBMKLSA-N
XLogP1.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine?
The IUPAC name of (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine (CID 144876720) is (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine.
What is the SMILES notation for (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine?
The canonical SMILES for (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine is [H]/N=C/C=C\CNC/C=C\C.
What is the InChIKey of (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine?
The InChIKey is KLENFSIXMSIVJE-VALGBMKLSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-7-10-8-5-4-6-9/h2-6,9-10H,7-8H2,1H3/b3-2-,5-4-,9-6+.
What are the key properties of (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine?
(Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-enyl]-4-iminobut-2-en-1-amine is sourced from PubChem (CID 144876720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).