N'-(aminomethyl)piperazine-1-carboximidamide

C6H15N5 — CID 90953037

IUPACN'-(aminomethyl)piperazine-1-carboximidamide
SMILESNCN=C(N)N1CCNCC1
InChIInChI=1S/C6H15N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-5,7H2,(H2,8,10)
InChIKeyDLGWAFYACPMUDC-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.88
Rot. Bonds1

About N'-(aminomethyl)piperazine-1-carboximidamide

N'-(aminomethyl)piperazine-1-carboximidamide (PubChem CID 90953037) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is N'-(aminomethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(aminomethyl)piperazine-1-carboximidamide
PubChem CID90953037
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC NameN'-(aminomethyl)piperazine-1-carboximidamide
SMILESNCN=C(N)N1CCNCC1
InChIInChI=1S/C6H15N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-5,7H2,(H2,8,10)
InChIKeyDLGWAFYACPMUDC-UHFFFAOYSA-N
XLogP-1.88
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(aminomethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(aminomethyl)piperazine-1-carboximidamide (CID 90953037) is N'-(aminomethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(aminomethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(aminomethyl)piperazine-1-carboximidamide is NCN=C(N)N1CCNCC1.
What is the InChIKey of N'-(aminomethyl)piperazine-1-carboximidamide?
The InChIKey is DLGWAFYACPMUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-5,7H2,(H2,8,10).
What are the key properties of N'-(aminomethyl)piperazine-1-carboximidamide?
N'-(aminomethyl)piperazine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 90953037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).