N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide

C12H23N5 — CID 59114478

IUPACN-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NC#N)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H23N5/c1-12(2,3)9-16-5-7-17(8-6-16)11(14-4)15-10-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyNUVSKKUKYHDGBM-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.71
Rot. Bonds1

About N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide

N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 59114478) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID59114478
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NC#N)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H23N5/c1-12(2,3)9-16-5-7-17(8-6-16)11(14-4)15-10-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyNUVSKKUKYHDGBM-UHFFFAOYSA-N
XLogP0.71
TPSA54.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide (CID 59114478) is N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NC#N)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is NUVSKKUKYHDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,3)9-16-5-7-17(8-6-16)11(14-4)15-10-13/h5-9H2,1-4H3,(H,14,15).
What are the key properties of N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide?
N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 59114478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).