N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine

C13H21N3 — CID 88944972

IUPACN-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine
SMILESC=C/C=C\N=C(/C)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H21N3/c1-3-4-7-14-12(2)15-8-10-16(11-9-15)13-5-6-13/h3-4,7,13H,1,5-6,8-11H2,2H3/b7-4-,14-12+
InChIKeyDAVDPCMEALBMFT-UBNQNMCKSA-N
MW219.33 g/mol
LogP1.88
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine

N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine (PubChem CID 88944972) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine
PubChem CID88944972
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine
SMILESC=C/C=C\N=C(/C)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H21N3/c1-3-4-7-14-12(2)15-8-10-16(11-9-15)13-5-6-13/h3-4,7,13H,1,5-6,8-11H2,2H3/b7-4-,14-12+
InChIKeyDAVDPCMEALBMFT-UBNQNMCKSA-N
XLogP1.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine 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 N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine (CID 88944972) is N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine is C=C/C=C\N=C(/C)N1CCN(C2CC2)CC1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine?
The InChIKey is DAVDPCMEALBMFT-UBNQNMCKSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-7-14-12(2)15-8-10-16(11-9-15)13-5-6-13/h3-4,7,13H,1,5-6,8-11H2,2H3/b7-4-,14-12+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine?
N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine has a molecular weight of 219.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 88944972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).