N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide

C10H23N3O — CID 76915778

IUPACN'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CCC(C)C
InChIInChI=1S/C10H23N3O/c1-5-9(10(11)12-14)13(4)7-6-8(2)3/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyXJCXNNJKLSIXNL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.49
Rot. Bonds6

About N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide

N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide (PubChem CID 76915778) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide
PubChem CID76915778
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CCC(C)C
InChIInChI=1S/C10H23N3O/c1-5-9(10(11)12-14)13(4)7-6-8(2)3/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyXJCXNNJKLSIXNL-UHFFFAOYSA-N
XLogP1.49
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.49
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

N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
CID 76915771
2-(dipropylamino)-N'-hydroxybutanimidamide
CID 76915523
N'-hydroxy-2-[methyl(pentan-3-yl)amino]butanimidamide
CID 76915773
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 76915624
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
CID 76915553
2-[bis(3-methylbutyl)amino]butanethioamide
CID 114011145
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide (CID 76915778) is N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide is CCC(C(N)=NO)N(C)CCC(C)C.
What is the InChIKey of N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide?
The InChIKey is XJCXNNJKLSIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-9(10(11)12-14)13(4)7-6-8(2)3/h8-9,14H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide?
N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.49, 6 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-methylbutyl)amino]butanimidamide is sourced from PubChem (CID 76915778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).