N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide

C11H21N5 — CID 3050793

IUPACN'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N/C(C)(C)C)NC#N)CC1
InChIInChI=1S/C11H21N5/c1-11(2,3)14-10(13-9-12)16-7-5-15(4)6-8-16/h5-8H2,1-4H3,(H,13,14)
InChIKeyALTXNQWEWVHESE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.46
Rot. Bonds

About N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide

N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide (PubChem CID 3050793) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide
PubChem CID3050793
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N/C(C)(C)C)NC#N)CC1
InChIInChI=1S/C11H21N5/c1-11(2,3)14-10(13-9-12)16-7-5-15(4)6-8-16/h5-8H2,1-4H3,(H,13,14)
InChIKeyALTXNQWEWVHESE-UHFFFAOYSA-N
XLogP0.46
TPSA54.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.46
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

N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967568
1,3-Diethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 53591928
4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide
CID 20641656
N,N',4-trimethylpiperazine-1-carboximidamide
CID 22957304
N'-propan-2-ylpiperazine-1-carboximidamide
CID 54317721
N-cyano-4-(2,2-dimethylpropyl)-N'-propylpiperazine-1-carboximidamide
CID 57588623
(1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-yl)cyanamide
CID 57679165
(1-Tert-butyl-4,5-dihydroimidazol-2-yl)cyanamide
CID 57679168
4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 57837430
N-cyano-4-(2,2-dimethylpropyl)-N'-methylpiperazine-1-carboximidamide
CID 59114478
1-Tert-butyl-2-(2-piperidin-1-ylethyl)guanidine
CID 59768486
4-Tert-butylpiperazine-1-carboximidamide
CID 61432933

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide (CID 3050793) is N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(=N/C(C)(C)C)NC#N)CC1.
What is the InChIKey of N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide?
The InChIKey is ALTXNQWEWVHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-11(2,3)14-10(13-9-12)16-7-5-15(4)6-8-16/h5-8H2,1-4H3,(H,13,14).
What are the key properties of N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide?
N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 3050793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).