N-(diaminomethylidene)piperazine-1-carboximidamide

C6H14N6 — CID 20631484

IUPACN-(diaminomethylidene)piperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNCC1
InChIInChI=1S/C6H14N6/c7-5(8)11-6(9)12-3-1-10-2-4-12/h10H,1-4H2,(H5,7,8,9,11)
InChIKeyWEIAHRZQEKRKDJ-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.90
Rot. Bonds

About N-(diaminomethylidene)piperazine-1-carboximidamide

N-(diaminomethylidene)piperazine-1-carboximidamide (PubChem CID 20631484) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is N-(diaminomethylidene)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)piperazine-1-carboximidamide
PubChem CID20631484
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC NameN-(diaminomethylidene)piperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNCC1
InChIInChI=1S/C6H14N6/c7-5(8)11-6(9)12-3-1-10-2-4-12/h10H,1-4H2,(H5,7,8,9,11)
InChIKeyWEIAHRZQEKRKDJ-UHFFFAOYSA-N
XLogP-1.90
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(diaminomethylidene)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

1,4-Piperazinedicarboxamidine
CID 205054
Piperazine-1-carboxamidine
CID 2760424
Piperazine-1-carboximidhydrazide
CID 53470602
1,3-Diethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
CID 53604504
Bis(2-guanidinoethyl)amine
CID 176529839
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
CID 91599877
N-[amino(imino)methyl]-4-methylpiperazine-1-carboximidamide
CID 10285845
1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 12435105
1-(1-Methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 18424134
N'-methylpiperazine-1-carboximidamide
CID 18435487
Piperazine-1-carboximidamide;hydroiodide
CID 18946284
N'-isocyanopiperazine-1-carboximidamide
CID 20631486

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)piperazine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)piperazine-1-carboximidamide (CID 20631484) is N-(diaminomethylidene)piperazine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)piperazine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)piperazine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCNCC1.
What is the InChIKey of N-(diaminomethylidene)piperazine-1-carboximidamide?
The InChIKey is WEIAHRZQEKRKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6/c7-5(8)11-6(9)12-3-1-10-2-4-12/h10H,1-4H2,(H5,7,8,9,11).
What are the key properties of N-(diaminomethylidene)piperazine-1-carboximidamide?
N-(diaminomethylidene)piperazine-1-carboximidamide has a molecular weight of 170.22 g/mol, XLogP of -1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)piperazine-1-carboximidamide is sourced from PubChem (CID 20631484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).