N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene

C15H32N4 — CID 143703394

IUPACN,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
SMILESC=CC.CC.CC/N=C/C(=N\CC)N1CCNCC1
InChIInChI=1S/C10H20N4.C3H6.C2H6/c1-3-11-9-10(13-4-2)14-7-5-12-6-8-14;1-3-2;1-2/h9,12H,3-8H2,1-2H3;3H,1H2,2H3;1-2H3/b11-9+,13-10+;;
InChIKeyOINTWMDOPGARNA-ULRVTDAOSA-N
MW268.45 g/mol
LogP2.62
Rot. Bonds3

About N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene

N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene (PubChem CID 143703394) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene.

Molecular Properties

Compound NameN,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
PubChem CID143703394
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
SMILESC=CC.CC.CC/N=C/C(=N\CC)N1CCNCC1
InChIInChI=1S/C10H20N4.C3H6.C2H6/c1-3-11-9-10(13-4-2)14-7-5-12-6-8-14;1-3-2;1-2/h9,12H,3-8H2,1-2H3;3H,1H2,2H3;1-2H3/b11-9+,13-10+;;
InChIKeyOINTWMDOPGARNA-ULRVTDAOSA-N
XLogP2.62
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene 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

N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774
N'-ethenyl-N-methyl-1-piperazin-1-ylethane-1,2-diimine
CID 144105655
(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 153330724
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
CID 156866753
N,N'-bis(prop-2-enyl)methanimidamide;1-methyl-4-propylpiperazine
CID 157747304
(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
CID 163573336
1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104188
ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 171081334
(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
CID 145241375

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene?
The IUPAC name of N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene (CID 143703394) is N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene.
What is the SMILES notation for N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene?
The canonical SMILES for N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene is C=CC.CC.CC/N=C/C(=N\CC)N1CCNCC1.
What is the InChIKey of N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene?
The InChIKey is OINTWMDOPGARNA-ULRVTDAOSA-N. The full InChI is InChI=1S/C10H20N4.C3H6.C2H6/c1-3-11-9-10(13-4-2)14-7-5-12-6-8-14;1-3-2;1-2/h9,12H,3-8H2,1-2H3;3H,1H2,2H3;1-2H3/b11-9+,13-10+;;.
What are the key properties of N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene?
N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene has a molecular weight of 268.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene is sourced from PubChem (CID 143703394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).