(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine

C12H21N3 — CID 155735262

IUPAC(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C(=N/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-11(2)10-12(13-3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b11-10-,13-12+
InChIKeyBCPBYPXGYFAJLU-JPYSRSMKSA-N
MW207.32 g/mol
LogP1.39
Rot. Bonds2

About (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine

(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine (PubChem CID 155735262) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
PubChem CID155735262
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C(=N/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-11(2)10-12(13-3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b11-10-,13-12+
InChIKeyBCPBYPXGYFAJLU-JPYSRSMKSA-N
XLogP1.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.39
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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Related Compounds

2,2'-(2-(Cyclobut-3-en-2-ylium-1-ylidenemethyl)-4,5-dihydro-1h-imidazole-1-ium-1,1-diyl)bis(ethan-1-ide)
CID 177796141
7-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 21766525
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide
CID 118176388
1-(2,3-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123693422
N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 123993985
(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
CID 126495587
(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
CID 126495651
(2Z)-N,4-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024471
(2Z)-N,2,4-trimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024486
1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 144954746
(2Z)-N-[2-(dimethylamino)ethyl]-N,N'-dimethylpenta-2,4-dienimidamide
CID 145528308

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine (CID 155735262) is (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine is C=C/C(C)=C\C(=N/C)N1CCN(C)CC1.
What is the InChIKey of (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The InChIKey is BCPBYPXGYFAJLU-JPYSRSMKSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(2)10-12(13-3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b11-10-,13-12+.
What are the key properties of (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 155735262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).