N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide

C12H27N5 — CID 104883912

IUPACN-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N5/c1-4-5-6-14-12(15-13)17-9-7-16(8-10-17)11(2)3/h11H,4-10,13H2,1-3H3,(H,14,15)
InChIKeyLERUYGNJFZKLEJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.63
Rot. Bonds4

About N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide

N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 104883912) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
PubChem CID104883912
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N5/c1-4-5-6-14-12(15-13)17-9-7-16(8-10-17)11(2)3/h11H,4-10,13H2,1-3H3,(H,14,15)
InChIKeyLERUYGNJFZKLEJ-UHFFFAOYSA-N
XLogP0.63
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
CID 104886722
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
CID 118455560
ethyl 4-(N'-butyl-N-ethylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163768
N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
CID 104883166

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide (CID 104883912) is N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCN(C(C)C)CC1.
What is the InChIKey of N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is LERUYGNJFZKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-4-5-6-14-12(15-13)17-9-7-16(8-10-17)11(2)3/h11H,4-10,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide?
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 104883912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).