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

C16H27N5 — CID 116512908

IUPACN-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N5/c1-14(2)12-18-16(19-17)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3,(H,18,19)
InChIKeyWMCGYFDBMQDSPZ-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.28
Rot. Bonds4

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

N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 116512908) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID116512908
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N5/c1-14(2)12-18-16(19-17)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3,(H,18,19)
InChIKeyWMCGYFDBMQDSPZ-UHFFFAOYSA-N
XLogP1.28
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.28
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'}

Analyze N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-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

4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682613
(5S)-1-(cyclohexylmethyl)-5-phenyl-4,5-dihydroimidazol-2-amine
CID 23640810
1-Benzyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 427463
4-Benzylpiperazine-1-carboximidamide hydrochloride
CID 16247273
6,6-Dimethyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 45483584
N,N-dibenzylbiguanide
CID 421993
Hexyl-benzyl-biguanide
CID 118537275
N'-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513425
N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513426
N'-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 78093454
N'-[N'-[(4-fluorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 78093455

Frequently Asked Questions

What is the IUPAC name of N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (CID 116512908) is N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is WMCGYFDBMQDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-14(2)12-18-16(19-17)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3,(H,18,19).
What are the key properties of N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 116512908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).