N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide

C7H18N6 — CID 142036400

IUPACN,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide
SMILESCN1CCN(C/C(=N/N)NN)CC1
InChIInChI=1S/C7H18N6/c1-12-2-4-13(5-3-12)6-7(10-8)11-9/h2-6,8-9H2,1H3,(H,10,11)
InChIKeyHHIKNINFHRRNEX-UHFFFAOYSA-N
MW186.26 g/mol
LogP-2.03
Rot. Bonds2

About N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide

N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide (PubChem CID 142036400) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide
PubChem CID142036400
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC NameN,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide
SMILESCN1CCN(C/C(=N/N)NN)CC1
InChIInChI=1S/C7H18N6/c1-12-2-4-13(5-3-12)6-7(10-8)11-9/h2-6,8-9H2,1H3,(H,10,11)
InChIKeyHHIKNINFHRRNEX-UHFFFAOYSA-N
XLogP-2.03
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide (CID 142036400) is N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide is CN1CCN(C/C(=N/N)NN)CC1.
What is the InChIKey of N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide?
The InChIKey is HHIKNINFHRRNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c1-12-2-4-13(5-3-12)6-7(10-8)11-9/h2-6,8-9H2,1H3,(H,10,11).
What are the key properties of N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide?
N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide has a molecular weight of 186.26 g/mol, XLogP of -2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-(4-methylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 142036400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).