ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide

C17H39N5 — CID 143703270

IUPACethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
SMILESC=C/N=C/N(C)CCN1CCN(C(C)C)CC1.CC.CCN
InChIInChI=1S/C13H26N4.C2H7N.C2H6/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3;1-2-3;1-2/h5,12-13H,1,6-11H2,2-4H3;2-3H2,1H3;1-2H3/b14-12+;;
InChIKeyMNYZWQYWKNEZJG-QHXCTMFKSA-N
MW313.53 g/mol
LogP2.11
Rot. Bonds6

About ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide

ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide (PubChem CID 143703270) has the molecular formula C17H39N5 and a molecular weight of 313.53 g/mol. Its IUPAC name is ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide.

Molecular Properties

Compound Nameethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
PubChem CID143703270
Molecular FormulaC17H39N5
Molecular Weight313.53 g/mol
Exact Mass313.32
IUPAC Nameethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
SMILESC=C/N=C/N(C)CCN1CCN(C(C)C)CC1.CC.CCN
InChIInChI=1S/C13H26N4.C2H7N.C2H6/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3;1-2-3;1-2/h5,12-13H,1,6-11H2,2-4H3;2-3H2,1H3;1-2H3/b14-12+;;
InChIKeyMNYZWQYWKNEZJG-QHXCTMFKSA-N
XLogP2.11
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide 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

ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
CID 143734602
N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
CID 143703271
N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
CID 143734603

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The IUPAC name of ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide (CID 143703270) is ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide.
What is the SMILES notation for ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The canonical SMILES for ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide is C=C/N=C/N(C)CCN1CCN(C(C)C)CC1.CC.CCN.
What is the InChIKey of ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The InChIKey is MNYZWQYWKNEZJG-QHXCTMFKSA-N. The full InChI is InChI=1S/C13H26N4.C2H7N.C2H6/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3;1-2-3;1-2/h5,12-13H,1,6-11H2,2-4H3;2-3H2,1H3;1-2H3/b14-12+;;.
What are the key properties of ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide has a molecular weight of 313.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide is sourced from PubChem (CID 143703270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).