N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide

C10H23N3O — CID 77032009

IUPACN'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
SMILESCCC(NCC(C)C(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O/c1-5-9(7(2)3)12-6-8(4)10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyCFEJMWUGHXVCJE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.39
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide

N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide (PubChem CID 77032009) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
PubChem CID77032009
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
SMILESCCC(NCC(C)C(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O/c1-5-9(7(2)3)12-6-8(4)10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyCFEJMWUGHXVCJE-UHFFFAOYSA-N
XLogP1.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
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

2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518
3-(but-3-yn-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104921681
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77030830
3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952623
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
CID 77031255

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide (CID 77032009) is N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide is CCC(NCC(C)C(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide?
The InChIKey is CFEJMWUGHXVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-9(7(2)3)12-6-8(4)10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide is sourced from PubChem (CID 77032009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).