ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide

C12H26N4 — CID 143734602

IUPACethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
SMILESC=C/N=C/N(C)CCN1CCNCC1.CC
InChIInChI=1S/C10H20N4.C2H6/c1-3-11-10-13(2)8-9-14-6-4-12-5-7-14;1-2/h3,10,12H,1,4-9H2,2H3;1-2H3/b11-10+;
InChIKeyDTKSCRKWKBNEJL-ASTDGNLGSA-N
MW226.37 g/mol
LogP1.02
Rot. Bonds5

About ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide

ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide (PubChem CID 143734602) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
PubChem CID143734602
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Nameethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
SMILESC=C/N=C/N(C)CCN1CCNCC1.CC
InChIInChI=1S/C10H20N4.C2H6/c1-3-11-10-13(2)8-9-14-6-4-12-5-7-14;1-2/h3,10,12H,1,4-9H2,2H3;1-2H3/b11-10+;
InChIKeyDTKSCRKWKBNEJL-ASTDGNLGSA-N
XLogP1.02
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.02
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'}

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Related Compounds

N,N-diethyl-2-(3-methyl-1H-imidazole-1,3-diium-1-yl)ethanamine
CID 22890001
N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride
CID 67710239
1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
CID 118489766
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-piperazin-1-ylmethanimine
CID 129172082
N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 129253175
N-ethenyl-1-methylpiperazin-2-imine
CID 134309172
N-ethenyl-N'-methylpiperazine-1-carboximidamide;molecular hydrogen
CID 142160666
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443940
ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
CID 142887609
ethanamine;ethane;N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
CID 143703270
N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 143804985

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide?
The IUPAC name of ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide (CID 143734602) is ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide?
The canonical SMILES for ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide is C=C/N=C/N(C)CCN1CCNCC1.CC.
What is the InChIKey of ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide?
The InChIKey is DTKSCRKWKBNEJL-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H20N4.C2H6/c1-3-11-10-13(2)8-9-14-6-4-12-5-7-14;1-2/h3,10,12H,1,4-9H2,2H3;1-2H3/b11-10+;.
What are the key properties of ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide?
ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide has a molecular weight of 226.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide is sourced from PubChem (CID 143734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).