ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide

C11H22N4 — CID 142887609

IUPACethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCN(C)CC1.CC
InChIInChI=1S/C9H16N4.C2H6/c1-4-11-9(10-2)13-7-5-12(3)6-8-13;1-2/h4H,1-2,5-8H2,3H3;1-2H3/b11-9+;
InChIKeyWVVBAEOLIPKRJU-LBEJWNQZSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds1

About ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide

ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide (PubChem CID 142887609) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
PubChem CID142887609
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Nameethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCN(C)CC1.CC
InChIInChI=1S/C9H16N4.C2H6/c1-4-11-9(10-2)13-7-5-12(3)6-8-13;1-2/h4H,1-2,5-8H2,3H3;1-2H3/b11-9+;
InChIKeyWVVBAEOLIPKRJU-LBEJWNQZSA-N
XLogP1.46
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
CID 91423819
N-ethenyl-N'-methylpiperazine-1-carboximidamide;molecular hydrogen
CID 142160666
ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
CID 143734602
N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 143804985
(NZ)-N'-ethenyl-4-ethyl-N-ethylidenepiperazine-1-carboximidamide
CID 144022512
N-ethenyl-N',4-dimethylpiperazine-1-carboximidamide
CID 156035467
ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 168939199
N-ethenyl-N'-methylpiperazine-1-carboximidamide
CID 142160667
N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
CID 142887610
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 ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The IUPAC name of ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide (CID 142887609) is ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide.
What is the SMILES notation for ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The canonical SMILES for ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide is C=C/N=C(\N=C)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The InChIKey is WVVBAEOLIPKRJU-LBEJWNQZSA-N. The full InChI is InChI=1S/C9H16N4.C2H6/c1-4-11-9(10-2)13-7-5-12(3)6-8-13;1-2/h4H,1-2,5-8H2,3H3;1-2H3/b11-9+;.
What are the key properties of ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide is sourced from PubChem (CID 142887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).