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

C13H23N3 — CID 156819648

IUPAC(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
SMILESC/C=N\C(=C/C(C)=C\C)N1CCN(C)CC1
InChIInChI=1S/C13H23N3/c1-5-12(3)11-13(14-6-2)16-9-7-15(4)8-10-16/h5-6,11H,7-10H2,1-4H3/b12-5-,13-11+,14-6-
InChIKeyPXMPCVOJLZNLSW-RHDPWQGRSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds3

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

(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine (PubChem CID 156819648) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
PubChem CID156819648
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
SMILESC/C=N\C(=C/C(C)=C\C)N1CCN(C)CC1
InChIInChI=1S/C13H23N3/c1-5-12(3)11-13(14-6-2)16-9-7-15(4)8-10-16/h5-6,11H,7-10H2,1-4H3/b12-5-,13-11+,14-6-
InChIKeyPXMPCVOJLZNLSW-RHDPWQGRSA-N
XLogP2.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
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'}

Analyze (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
N-ethylidene-N'-[(E)-1-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-ylidene]amino]prop-1-en-2-yl]methanimidamide
CID 166944001
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
(Z)-3-(4-methylpiperazin-1-yl)but-2-enenitrile
CID 66606958
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 171811581
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine
CID 130418379
1,4-dimethylpiperazine;ethane
CID 91292414
[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid
CID 176964293

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine (CID 156819648) is (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine is C/C=N\C(=C/C(C)=C\C)N1CCN(C)CC1.
What is the InChIKey of (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine?
The InChIKey is PXMPCVOJLZNLSW-RHDPWQGRSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(3)11-13(14-6-2)16-9-7-15(4)8-10-16/h5-6,11H,7-10H2,1-4H3/b12-5-,13-11+,14-6-.
What are the key properties of (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine?
(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine is sourced from PubChem (CID 156819648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).