ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine

C14H28N2O — CID 142202950

IUPACethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
SMILESC=C(CC/C(=C\C)N1CCNCC1)OC.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14;1-2/h4,13H,2,5-10H2,1,3H3;1-2H3/b12-4+;
InChIKeyZGAPTHWJCVAPFV-AQCBZIOHSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds5

About ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine

ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine (PubChem CID 142202950) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine.

Molecular Properties

Compound Nameethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
PubChem CID142202950
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
SMILESC=C(CC/C(=C\C)N1CCNCC1)OC.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14;1-2/h4,13H,2,5-10H2,1,3H3;1-2H3/b12-4+;
InChIKeyZGAPTHWJCVAPFV-AQCBZIOHSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine 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'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine
CID 163519766
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142040917
1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202951

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The IUPAC name of ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine (CID 142202950) is ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine.
What is the SMILES notation for ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The canonical SMILES for ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine is C=C(CC/C(=C\C)N1CCNCC1)OC.CC.
What is the InChIKey of ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The InChIKey is ZGAPTHWJCVAPFV-AQCBZIOHSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14;1-2/h4,13H,2,5-10H2,1,3H3;1-2H3/b12-4+;.
What are the key properties of ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine is sourced from PubChem (CID 142202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).