N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane

C13H27N3 — CID 143433371

IUPACN-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane
SMILESC=C/C=C\N=C.CC.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H7N.C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2;1-2/h3-6H2,1-2H3;3-5H,1-2H2;1-2H3/b;5-4-;
InChIKeyZTZPUIOMVSIDRC-FXHNQCOHSA-N
MW225.38 g/mol
LogP2.28
Rot. Bonds2

About N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane

N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane (PubChem CID 143433371) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane
PubChem CID143433371
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane
SMILESC=C/C=C\N=C.CC.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H7N.C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2;1-2/h3-6H2,1-2H3;3-5H,1-2H2;1-2H3/b;5-4-;
InChIKeyZTZPUIOMVSIDRC-FXHNQCOHSA-N
XLogP2.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
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

1,4-Dipropenylpiperazine
CID 134821216
1-[(E)-but-1-enyl]-4-methylpiperazine
CID 15156750
1-[(1E)-1,3-butadienyl]-4-methylpiperazine
CID 15665727
1-methyl-4-[(E)-prop-1-enyl]piperazine
CID 20748422
1-methyl-4-[(Z)-prop-1-enyl]piperazine
CID 57296904
1-Methyl-4-prop-1-enylpiperazine
CID 59978346
1-Ethenyl-4-prop-2-enylpiperazine
CID 66995529
1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
CID 118476491
N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
1,4-bis[(E)-prop-1-enyl]piperazine
CID 141740310
N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
CID 143115341
N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
CID 143680758

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane (CID 143433371) is N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane is C=C/C=C\N=C.CC.CN1CCN(C)CC1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane?
The InChIKey is ZTZPUIOMVSIDRC-FXHNQCOHSA-N. The full InChI is InChI=1S/C6H14N2.C5H7N.C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2;1-2/h3-6H2,1-2H3;3-5H,1-2H2;1-2H3/b;5-4-;.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane?
N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane has a molecular weight of 225.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane is sourced from PubChem (CID 143433371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).