N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine

C9H15N3 — CID 123221318

IUPACN-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
SMILESC=CC=C(N=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,1-2,5-8H2
InChIKeySCYKHAADVLPWMX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.62
Rot. Bonds3

About N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine

N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine (PubChem CID 123221318) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
PubChem CID123221318
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
SMILESC=CC=C(N=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,1-2,5-8H2
InChIKeySCYKHAADVLPWMX-UHFFFAOYSA-N
XLogP0.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3E)-4-fluoro-1-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 144179587
(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89109784
(1Z,3E)-4-(methylideneamino)-4-piperazin-1-ylbuta-1,3-diene-1,3-diamine
CID 89275674
N-(1-piperazin-1-ylprop-1-enyl)methanimine
CID 91155840
(1E,3E)-4-iodo-4-(methylideneamino)-1-piperazin-1-ylbuta-1,3-dien-1-amine
CID 134406582
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
CID 143834887
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893
ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 143872817
N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]methanimine
CID 144562371
N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]methanimine
CID 145610709
(1E)-N-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
CID 156336694

Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine?
The IUPAC name of N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine (CID 123221318) is N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine?
The canonical SMILES for N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine is C=CC=C(N=C)N1CCNCC1.
What is the InChIKey of N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine?
The InChIKey is SCYKHAADVLPWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,1-2,5-8H2.
What are the key properties of N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine?
N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine has a molecular weight of 165.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine is sourced from PubChem (CID 123221318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).