N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide

C6H13N5 — CID 140985852

IUPACN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide
SMILESNN=C/N=C/N1CCNCC1
InChIInChI=1S/C6H13N5/c7-10-5-9-6-11-3-1-8-2-4-11/h5-6,8H,1-4,7H2/b9-6+,10-5?
InChIKeyXIYBJFIQRUPBCM-YUSBAAHMSA-N
MW155.21 g/mol
LogP-1.18
Rot. Bonds2

About N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide

N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide (PubChem CID 140985852) has the molecular formula C6H13N5 and a molecular weight of 155.21 g/mol. Its IUPAC name is N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide.

Molecular Properties

Compound NameN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide
PubChem CID140985852
Molecular FormulaC6H13N5
Molecular Weight155.21 g/mol
Exact Mass155.12
IUPAC NameN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide
SMILESNN=C/N=C/N1CCNCC1
InChIInChI=1S/C6H13N5/c7-10-5-9-6-11-3-1-8-2-4-11/h5-6,8H,1-4,7H2/b9-6+,10-5?
InChIKeyXIYBJFIQRUPBCM-YUSBAAHMSA-N
XLogP-1.18
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 5-1.18
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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Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide?
The IUPAC name of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide (CID 140985852) is N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide.
What is the SMILES notation for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide?
The canonical SMILES for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide is NN=C/N=C/N1CCNCC1.
What is the InChIKey of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide?
The InChIKey is XIYBJFIQRUPBCM-YUSBAAHMSA-N. The full InChI is InChI=1S/C6H13N5/c7-10-5-9-6-11-3-1-8-2-4-11/h5-6,8H,1-4,7H2/b9-6+,10-5?.
What are the key properties of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide?
N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide has a molecular weight of 155.21 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide is sourced from PubChem (CID 140985852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).