N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide

C12H27N5 — CID 104886290

IUPACN-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N5/c1-5-6-7-14-11(15-13)17-9-8-16(4)12(2,3)10-17/h5-10,13H2,1-4H3,(H,14,15)
InChIKeyQNAMRYXWPDQJSY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.63
Rot. Bonds3

About N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide

N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide (PubChem CID 104886290) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
PubChem CID104886290
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N5/c1-5-6-7-14-11(15-13)17-9-8-16(4)12(2,3)10-17/h5-10,13H2,1-4H3,(H,14,15)
InChIKeyQNAMRYXWPDQJSY-UHFFFAOYSA-N
XLogP0.63
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

Analyze N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 104886298
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
CID 104886722
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
CID 104885019
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N'-butyl-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489605
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
N-amino-N'-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887572
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide (CID 104886290) is N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide?
The InChIKey is QNAMRYXWPDQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-5-6-7-14-11(15-13)17-9-8-16(4)12(2,3)10-17/h5-10,13H2,1-4H3,(H,14,15).
What are the key properties of N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide?
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 104886290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).