N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide

C11H24N4O — CID 104937389

IUPACN'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
SMILESCC(CN1CC(C)N(C)C(C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-8(11(12)13-16)5-15-6-9(2)14(4)10(3)7-15/h8-10,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyHIDRXDXSTCTZGI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.39
Rot. Bonds3

About N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide (PubChem CID 104937389) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
PubChem CID104937389
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
SMILESCC(CN1CC(C)N(C)C(C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-8(11(12)13-16)5-15-6-9(2)14(4)10(3)7-15/h8-10,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyHIDRXDXSTCTZGI-UHFFFAOYSA-N
XLogP0.39
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 81465364
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986941
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76986711
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537771
2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propane-1-thiol
CID 114541048
1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
CID 130993658

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide (CID 104937389) is N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide is CC(CN1CC(C)N(C)C(C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide?
The InChIKey is HIDRXDXSTCTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(11(12)13-16)5-15-6-9(2)14(4)10(3)7-15/h8-10,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 104937389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).