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

C11H19N3 — CID 89117774

IUPACN-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
SMILESC=C/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-6-12-11(2)14-9-7-13(3)8-10-14/h4-6H,1,7-10H2,2-3H3/b6-5-,12-11+
InChIKeyMJBRNCLEAVRJCM-OXHHXQHLSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds2

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

N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine (PubChem CID 89117774) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
PubChem CID89117774
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
SMILESC=C/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-6-12-11(2)14-9-7-13(3)8-10-14/h4-6H,1,7-10H2,2-3H3/b6-5-,12-11+
InChIKeyMJBRNCLEAVRJCM-OXHHXQHLSA-N
XLogP1.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine (CID 89117774) is N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine is C=C/C=C\N=C(/C)N1CCN(C)CC1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine?
The InChIKey is MJBRNCLEAVRJCM-OXHHXQHLSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-12-11(2)14-9-7-13(3)8-10-14/h4-6H,1,7-10H2,2-3H3/b6-5-,12-11+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine?
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 2 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-methylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 89117774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).