N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane

C15H33N4+ — CID 156866753

IUPACN-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
SMILESCC.CC.[H]/N=C/N=C(/C=C\C)N1CC[N+](C)(C)CC1
InChIInChI=1S/C11H21N4.2C2H6/c1-4-5-11(13-10-12)14-6-8-15(2,3)9-7-14;2*1-2/h4-5,10,12H,6-9H2,1-3H3;2*1-2H3/q+1;;/b5-4-,12-10+,13-11-;;
InChIKeyPUCBRFUNVPNZQZ-JSWDTAMPSA-N
MW269.46 g/mol
LogP3.01
Rot. Bonds2

About N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane

N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane (PubChem CID 156866753) has the molecular formula C15H33N4+ and a molecular weight of 269.46 g/mol. Its IUPAC name is N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
PubChem CID156866753
Molecular FormulaC15H33N4+
Molecular Weight269.46 g/mol
Exact Mass269.27
IUPAC NameN-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
SMILESCC.CC.[H]/N=C/N=C(/C=C\C)N1CC[N+](C)(C)CC1
InChIInChI=1S/C11H21N4.2C2H6/c1-4-5-11(13-10-12)14-6-8-15(2,3)9-7-14;2*1-2/h4-5,10,12H,6-9H2,1-3H3;2*1-2H3/q+1;;/b5-4-,12-10+,13-11-;;
InChIKeyPUCBRFUNVPNZQZ-JSWDTAMPSA-N
XLogP3.01
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide
CID 123903463
N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
CID 143703394
ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 144622151
(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 153330724
(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
CID 163573336
(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 166762830
3-amino-N'-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]but-2-enimidamide
CID 173492987
1-[[(Z)-1-(4-methylpiperazin-1-yl)but-2-enylidene]amino]ethenamine
CID 173928560
(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
CID 145241375
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide
CID 156866754
(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
CID 176666314
(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
CID 176666498

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane?
The IUPAC name of N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane (CID 156866753) is N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane.
What is the SMILES notation for N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane?
The canonical SMILES for N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane is CC.CC.[H]/N=C/N=C(/C=C\C)N1CC[N+](C)(C)CC1.
What is the InChIKey of N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane?
The InChIKey is PUCBRFUNVPNZQZ-JSWDTAMPSA-N. The full InChI is InChI=1S/C11H21N4.2C2H6/c1-4-5-11(13-10-12)14-6-8-15(2,3)9-7-14;2*1-2/h4-5,10,12H,6-9H2,1-3H3;2*1-2H3/q+1;;/b5-4-,12-10+,13-11-;;.
What are the key properties of N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane?
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane has a molecular weight of 269.46 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane is sourced from PubChem (CID 156866753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).