N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide

C13H29N5 — CID 104885333

IUPACN-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N5/c1-11(2)10-15-12(16-14)17-6-8-18(9-7-17)13(3,4)5/h11H,6-10,14H2,1-5H3,(H,15,16)
InChIKeyPUXLBEYHTSAHEX-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.88
Rot. Bonds2

About N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide

N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 104885333) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID104885333
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC NameN-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N5/c1-11(2)10-15-12(16-14)17-6-8-18(9-7-17)13(3,4)5/h11H,6-10,14H2,1-5H3,(H,15,16)
InChIKeyPUXLBEYHTSAHEX-UHFFFAOYSA-N
XLogP0.88
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4-tert-butyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104884230
N-amino-N'-(2-methylpropyl)-1,4-thiazepane-4-carboximidamide
CID 104885614
N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 104886298
N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 116512908
N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104888959
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
N-amino-2-ethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883908
N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 104882599
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104881910
N-amino-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883874

Frequently Asked Questions

What is the IUPAC name of N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (CID 104885333) is N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is PUXLBEYHTSAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-11(2)10-15-12(16-14)17-6-8-18(9-7-17)13(3,4)5/h11H,6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104885333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).