(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine

C15H27N3 — CID 144745251

IUPAC(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N/C(=C(\C)CC)N1CCNC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-6-8-9-16-14(13(3)7-2)18-11-10-17-15(4,5)12-18/h6,8-9,17H,7,10-12H2,1-5H3/b8-6-,14-13-,16-9-
InChIKeyAFCNWDWAYFEIAA-WNYFRGLJSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds4

About (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine

(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine (PubChem CID 144745251) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine
PubChem CID144745251
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N/C(=C(\C)CC)N1CCNC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-6-8-9-16-14(13(3)7-2)18-11-10-17-15(4,5)12-18/h6,8-9,17H,7,10-12H2,1-5H3/b8-6-,14-13-,16-9-
InChIKeyAFCNWDWAYFEIAA-WNYFRGLJSA-N
XLogP2.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine with MolForge

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Related Compounds

1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
CID 103722221
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 79506964
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine (CID 144745251) is (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine is C/C=C\C=N/C(=C(\C)CC)N1CCNC(C)(C)C1.
What is the InChIKey of (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine?
The InChIKey is AFCNWDWAYFEIAA-WNYFRGLJSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-9-16-14(13(3)7-2)18-11-10-17-15(4,5)12-18/h6,8-9,17H,7,10-12H2,1-5H3/b8-6-,14-13-,16-9-.
What are the key properties of (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine?
(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine has a molecular weight of 249.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 144745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).