N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide

C7H16N6 — CID 10285845

IUPACN-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN(C)CC1
InChIInChI=1S/C7H16N6/c1-12-2-4-13(5-3-12)7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11)
InChIKeyZGISTEMQWYSJHP-UHFFFAOYSA-N
MW184.25 g/mol
LogP-1.56
Rot. Bonds

About N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide

N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide (PubChem CID 10285845) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide
PubChem CID10285845
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC NameN-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN(C)CC1
InChIInChI=1S/C7H16N6/c1-12-2-4-13(5-3-12)7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11)
InChIKeyZGISTEMQWYSJHP-UHFFFAOYSA-N
XLogP-1.56
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide (CID 10285845) is N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCN(C)CC1.
What is the InChIKey of N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide?
The InChIKey is ZGISTEMQWYSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-12-2-4-13(5-3-12)7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide?
N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide has a molecular weight of 184.25 g/mol, XLogP of -1.56, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 10285845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).