N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide

C11H25N5O — CID 83016191

IUPACN'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
SMILESCN1CCN(NCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H25N5O/c1-11(2,10(12)14-17)4-5-13-16-8-6-15(3)7-9-16/h13,17H,4-9H2,1-3H3,(H2,12,14)
InChIKeySJDVMUACLHTEJV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide (PubChem CID 83016191) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
PubChem CID83016191
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
SMILESCN1CCN(NCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H25N5O/c1-11(2,10(12)14-17)4-5-13-16-8-6-15(3)7-9-16/h13,17H,4-9H2,1-3H3,(H2,12,14)
InChIKeySJDVMUACLHTEJV-UHFFFAOYSA-N
XLogP-0.10
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
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-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide (CID 83016191) is N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide is CN1CCN(NCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The InChIKey is SJDVMUACLHTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-11(2,10(12)14-17)4-5-13-16-8-6-15(3)7-9-16/h13,17H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide has a molecular weight of 243.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide is sourced from PubChem (CID 83016191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).