ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine

C15H34N4 — CID 142132343

IUPACethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine
SMILESCC.[H]/N=C(\C)N1CCN(C(CC)CCN(C)C)CC1
InChIInChI=1S/C13H28N4.C2H6/c1-5-13(6-7-15(3)4)17-10-8-16(9-11-17)12(2)14;1-2/h13-14H,5-11H2,1-4H3;1-2H3/b14-12+;
InChIKeyUBQKWSDREJFIKQ-UNGNXWFZSA-N
MW270.46 g/mol
LogP2.36
Rot. Bonds5

About ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine

ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine (PubChem CID 142132343) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Nameethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine
PubChem CID142132343
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Nameethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine
SMILESCC.[H]/N=C(\C)N1CCN(C(CC)CCN(C)C)CC1
InChIInChI=1S/C13H28N4.C2H6/c1-5-13(6-7-15(3)4)17-10-8-16(9-11-17)12(2)14;1-2/h13-14H,5-11H2,1-4H3;1-2H3/b14-12+;
InChIKeyUBQKWSDREJFIKQ-UNGNXWFZSA-N
XLogP2.36
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.36
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'}

Analyze ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine?
The IUPAC name of ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine (CID 142132343) is ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine is CC.[H]/N=C(\C)N1CCN(C(CC)CCN(C)C)CC1.
What is the InChIKey of ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine?
The InChIKey is UBQKWSDREJFIKQ-UNGNXWFZSA-N. The full InChI is InChI=1S/C13H28N4.C2H6/c1-5-13(6-7-15(3)4)17-10-8-16(9-11-17)12(2)14;1-2/h13-14H,5-11H2,1-4H3;1-2H3/b14-12+;.
What are the key properties of ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine?
ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 142132343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).