N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide

C10H21N3O2 — CID 77028056

IUPACN'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide
SMILESCC(CNCC1CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(10(11)13-14)6-12-7-9-2-4-15-5-3-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyWKMDLVUGOZUICQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.39
Rot. Bonds5

About N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide

N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide (PubChem CID 77028056) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide
PubChem CID77028056
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide
SMILESCC(CNCC1CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(10(11)13-14)6-12-7-9-2-4-15-5-3-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyWKMDLVUGOZUICQ-UHFFFAOYSA-N
XLogP0.39
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.39
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-methyl-3-(oxan-4-ylmethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide (CID 77028056) is N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide is CC(CNCC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide?
The InChIKey is WKMDLVUGOZUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(10(11)13-14)6-12-7-9-2-4-15-5-3-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide is sourced from PubChem (CID 77028056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).