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

C10H23N5 — CID 104881910

IUPACN-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H23N5/c1-9(2)8-14-4-6-15(7-5-14)10(12-3)13-11/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyKBKMWSDTISBKBI-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.29
Rot. Bonds2

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

N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 104881910) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID104881910
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC NameN-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H23N5/c1-9(2)8-14-4-6-15(7-5-14)10(12-3)13-11/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyKBKMWSDTISBKBI-UHFFFAOYSA-N
XLogP-0.29
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.29
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-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
2-methyl-N-[2-[[N-methyl-C-[4-(2-methylpropyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111327006
N-amino-4-[2-(dimethylamino)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 104881912
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N'-methyl-4-(2-methylpropyl)-N-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide
CID 111516163
N-methyl-2-[[N-methyl-C-[4-(2-methylpropyl)piperazin-1-yl]carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111501053
N'-methyl-4-(2-methylpropyl)-N-[2-(2-methylsulfonylethoxy)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111516164
N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111516142
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
CID 104883166
N-amino-4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882168
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide (CID 104881910) is N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide is C/N=C(\NN)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is KBKMWSDTISBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-9(2)8-14-4-6-15(7-5-14)10(12-3)13-11/h9H,4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 213.33 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104881910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).