N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide

C7H17N3O2 — CID 60960898

IUPACN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
SMILESCC(CN(C)CCO)/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-6(7(8)9-12)5-10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyUYRDLBUSULHDSX-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.71
Rot. Bonds5

About N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide

N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 60960898) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID60960898
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
SMILESCC(CN(C)CCO)/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-6(7(8)9-12)5-10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyUYRDLBUSULHDSX-UHFFFAOYSA-N
XLogP-0.71
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.71
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-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide (CID 60960898) is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide is CC(CN(C)CCO)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is UYRDLBUSULHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-6(7(8)9-12)5-10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 60960898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).