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

C9H16N4 — CID 142887610

IUPACN'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCN(C)CC1
InChIInChI=1S/C9H16N4/c1-4-11-9(10-2)13-7-5-12(3)6-8-13/h4H,1-2,5-8H2,3H3/b11-9+
InChIKeyQLNBQIUMEHFMFY-PKNBQFBNSA-N
MW180.25 g/mol
LogP0.43
Rot. Bonds1

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

N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide (PubChem CID 142887610) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
PubChem CID142887610
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCN(C)CC1
InChIInChI=1S/C9H16N4/c1-4-11-9(10-2)13-7-5-12(3)6-8-13/h4H,1-2,5-8H2,3H3/b11-9+
InChIKeyQLNBQIUMEHFMFY-PKNBQFBNSA-N
XLogP0.43
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The IUPAC name of N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide (CID 142887610) is N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide.
What is the SMILES notation for N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The canonical SMILES for N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide is C=C/N=C(\N=C)N1CCN(C)CC1.
What is the InChIKey of N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
The InChIKey is QLNBQIUMEHFMFY-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-11-9(10-2)13-7-5-12(3)6-8-13/h4H,1-2,5-8H2,3H3/b11-9+.
What are the key properties of N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide?
N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide has a molecular weight of 180.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-4-methyl-N-methylidenepiperazine-1-carboximidamide is sourced from PubChem (CID 142887610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).