N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide

C9H19N3O — CID 104865748

IUPACN'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1(C)CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-8(10)12-13)11-9(2)4-3-5-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyVBSPOTPLZIVIFI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds4

About N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide

N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide (PubChem CID 104865748) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide
PubChem CID104865748
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1(C)CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-8(10)12-13)11-9(2)4-3-5-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyVBSPOTPLZIVIFI-UHFFFAOYSA-N
XLogP1.04
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide
CID 103370170
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide
CID 103370188
2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370191
3-(tert-butylamino)-N'-hydroxypropanimidamide
CID 54847460
3-(tert-butylamino)-N'-hydroxypropanimidamide
CID 76200419
3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76950884
3-[cyclobutylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76950889
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 77014208
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]butanimidamide
CID 77014213
N'-hydroxy-3-(2-methylpropylamino)pentanimidamide
CID 77025150
N'-hydroxy-3-(3-methylbutylamino)propanimidamide
CID 77025219
N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide
CID 77025220

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide (CID 104865748) is N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide is CC(CC(N)=NO)NC1(C)CCC1.
What is the InChIKey of N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide?
The InChIKey is VBSPOTPLZIVIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-8(10)12-13)11-9(2)4-3-5-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide?
N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide is sourced from PubChem (CID 104865748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).