N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide

C9H21N5O — CID 83015222

IUPACN'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
SMILESCC(CNN1CCN(C)CC1)C(N)=NO
InChIInChI=1S/C9H21N5O/c1-8(9(10)12-15)7-11-14-5-3-13(2)4-6-14/h8,11,15H,3-7H2,1-2H3,(H2,10,12)
InChIKeyVDUHZWHNPKUDSS-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.88
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide (PubChem CID 83015222) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
PubChem CID83015222
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
SMILESCC(CNN1CCN(C)CC1)C(N)=NO
InChIInChI=1S/C9H21N5O/c1-8(9(10)12-15)7-11-14-5-3-13(2)4-6-14/h8,11,15H,3-7H2,1-2H3,(H2,10,12)
InChIKeyVDUHZWHNPKUDSS-UHFFFAOYSA-N
XLogP-0.88
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.88
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-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide (CID 83015222) is N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide is CC(CNN1CCN(C)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
The InChIKey is VDUHZWHNPKUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-8(9(10)12-15)7-11-14-5-3-13(2)4-6-14/h8,11,15H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(4-methylpiperazin-1-yl)amino]propanimidamide is sourced from PubChem (CID 83015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).