N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide

C11H20N4 — CID 163682950

IUPACN-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide
SMILESC=CCC=N/C(=N\C)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-4-5-6-13-11(12-2)15-9-7-14(3)8-10-15/h4,6H,1,5,7-10H2,2-3H3/b12-11+,13-6?
InChIKeyJMIZYCQDJUNDGW-ZJRHECFSSA-N
MW208.31 g/mol
LogP0.87
Rot. Bonds2

About N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide

N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide (PubChem CID 163682950) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide
PubChem CID163682950
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide
SMILESC=CCC=N/C(=N\C)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-4-5-6-13-11(12-2)15-9-7-14(3)8-10-15/h4,6H,1,5,7-10H2,2-3H3/b12-11+,13-6?
InChIKeyJMIZYCQDJUNDGW-ZJRHECFSSA-N
XLogP0.87
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.87
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(5H-1,3-diazepin-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 141846428
ethane;2-(4-methylpiperazin-1-yl)-5H-1,3-diazepine
CID 141949903
2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine
CID 142128668
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide
CID 144110398
(NZ)-N'-methyl-N-prop-2-enylidene-4-sulfinamoylpiperazine-1-carboximidamide
CID 144490424
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide;ethane
CID 169104162
2-(4-methylpiperazin-1-yl)-5H-1,3-diazepine
CID 141949904

Frequently Asked Questions

What is the IUPAC name of N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide?
The IUPAC name of N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide (CID 163682950) is N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide.
What is the SMILES notation for N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide?
The canonical SMILES for N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide is C=CCC=N/C(=N\C)N1CCN(C)CC1.
What is the InChIKey of N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide?
The InChIKey is JMIZYCQDJUNDGW-ZJRHECFSSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-5-6-13-11(12-2)15-9-7-14(3)8-10-15/h4,6H,1,5,7-10H2,2-3H3/b12-11+,13-6?.
What are the key properties of N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide?
N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide has a molecular weight of 208.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 163682950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).