N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide

C9H19N3O2 — CID 77104922

IUPACN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1CC(O)C1
InChIInChI=1S/C9H19N3O2/c1-6(9(10)11-14)12(2)5-7-3-8(13)4-7/h6-8,13-14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyZJTDKWDHTTWEIU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.18
Rot. Bonds4

About N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide

N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide (PubChem CID 77104922) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide
PubChem CID77104922
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1CC(O)C1
InChIInChI=1S/C9H19N3O2/c1-6(9(10)11-14)12(2)5-7-3-8(13)4-7/h6-8,13-14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyZJTDKWDHTTWEIU-UHFFFAOYSA-N
XLogP-0.18
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide (CID 77104922) is N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide is CC(C(N)=NO)N(C)CC1CC(O)C1.
What is the InChIKey of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide?
The InChIKey is ZJTDKWDHTTWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(9(10)11-14)12(2)5-7-3-8(13)4-7/h6-8,13-14H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide?
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide is sourced from PubChem (CID 77104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).