(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane

C14H29N3 — CID 166128167

IUPAC(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C=C(/C)CC(C)C)N1CCNCC1
InChIInChI=1S/C12H23N3.C2H6/c1-10(2)8-11(3)9-12(13)15-6-4-14-5-7-15;1-2/h9-10,13-14H,4-8H2,1-3H3;1-2H3/b11-9+,13-12+;
InChIKeyHXXTXPCSRHAKBM-RTCSUJOXSA-N
MW239.41 g/mol
LogP2.89
Rot. Bonds3

About (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane

(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane (PubChem CID 166128167) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane.

Molecular Properties

Compound Name(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane
PubChem CID166128167
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C=C(/C)CC(C)C)N1CCNCC1
InChIInChI=1S/C12H23N3.C2H6/c1-10(2)8-11(3)9-12(13)15-6-4-14-5-7-15;1-2/h9-10,13-14H,4-8H2,1-3H3;1-2H3/b11-9+,13-12+;
InChIKeyHXXTXPCSRHAKBM-RTCSUJOXSA-N
XLogP2.89
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;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

(Z)-1-piperazin-1-ylhex-2-en-1-imine
CID 176921342
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
(E)-3-piperazin-1-ylbut-2-en-1-imine
CID 142245533
1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
CID 88957770
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
CID 58010631
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
CID 170740622
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane?
The IUPAC name of (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane (CID 166128167) is (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane.
What is the SMILES notation for (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane?
The canonical SMILES for (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane is CC.[H]/N=C(\C=C(/C)CC(C)C)N1CCNCC1.
What is the InChIKey of (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane?
The InChIKey is HXXTXPCSRHAKBM-RTCSUJOXSA-N. The full InChI is InChI=1S/C12H23N3.C2H6/c1-10(2)8-11(3)9-12(13)15-6-4-14-5-7-15;1-2/h9-10,13-14H,4-8H2,1-3H3;1-2H3/b11-9+,13-12+;.
What are the key properties of (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane?
(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane has a molecular weight of 239.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane is sourced from PubChem (CID 166128167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).