N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide

C11H25N5 — CID 104883166

IUPACN-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(=N\C(C)C)NN)CC1
InChIInChI=1S/C11H25N5/c1-4-5-15-6-8-16(9-7-15)11(14-12)13-10(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyXYKXQDJJHKOWLI-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.24
Rot. Bonds3

About N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide

N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide (PubChem CID 104883166) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
PubChem CID104883166
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC NameN-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(=N\C(C)C)NN)CC1
InChIInChI=1S/C11H25N5/c1-4-5-15-6-8-16(9-7-15)11(14-12)13-10(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyXYKXQDJJHKOWLI-UHFFFAOYSA-N
XLogP0.24
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.24
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'-phenyl-4-propylpiperazine-1-carboximidamide
CID 116512806
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 104883423
N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 104886420
N-amino-4-ethyl-3-methyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 104886027
N-amino-3,5-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104883211
N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104881910
N-amino-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
N-amino-4-[2-(dimethylamino)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 104881912
N-amino-3,4-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104888958
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
4-propylpiperazine-1-carboxamide
CID 16792615

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide (CID 104883166) is N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide is CCCN1CCN(/C(=N\C(C)C)NN)CC1.
What is the InChIKey of N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide?
The InChIKey is XYKXQDJJHKOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-4-5-15-6-8-16(9-7-15)11(14-12)13-10(2)3/h10H,4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide?
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide has a molecular weight of 227.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 104883166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).