N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide

C8H19N5O — CID 83016301

IUPACN'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
SMILESCN1CCN(NCCC(N)=NO)CC1
InChIInChI=1S/C8H19N5O/c1-12-4-6-13(7-5-12)10-3-2-8(9)11-14/h10,14H,2-7H2,1H3,(H2,9,11)
InChIKeyWWNROTSTKUGXEV-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.13
Rot. Bonds4

About N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide

N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide (PubChem CID 83016301) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
PubChem CID83016301
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC NameN'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
SMILESCN1CCN(NCCC(N)=NO)CC1
InChIInChI=1S/C8H19N5O/c1-12-4-6-13(7-5-12)10-3-2-8(9)11-14/h10,14H,2-7H2,1H3,(H2,9,11)
InChIKeyWWNROTSTKUGXEV-UHFFFAOYSA-N
XLogP-1.13
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide (CID 83016301) is N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide is CN1CCN(NCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The InChIKey is WWNROTSTKUGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-12-4-6-13(7-5-12)10-3-2-8(9)11-14/h10,14H,2-7H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide is sourced from PubChem (CID 83016301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).