N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide

C9H21N3O — CID 43272171

IUPACN'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(C)CC(C)/C(N)=N/O
InChIInChI=1S/C9H21N3O/c1-7(2)5-12(4)6-8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11)
InChIKeyCBABOIMSLVJPNQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.96
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide (PubChem CID 43272171) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
PubChem CID43272171
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(C)CC(C)/C(N)=N/O
InChIInChI=1S/C9H21N3O/c1-7(2)5-12(4)6-8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11)
InChIKeyCBABOIMSLVJPNQ-UHFFFAOYSA-N
XLogP0.96
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369251
N'-hydroxy-3-[(4-iodophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 77070215
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76915169
3-[(5-bromothiophen-3-yl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910061
3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 114084409
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910782
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide (CID 43272171) is N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide is CC(C)CN(C)CC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The InChIKey is CBABOIMSLVJPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)5-12(4)6-8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 43272171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).