N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide

C12H23N3O2 — CID 77070813

IUPACN'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCOC2)CC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-16)6-12(3-4-12)9-14-7-10-2-1-5-17-8-10/h10,14,16H,1-9H2,(H2,13,15)
InChIKeyZHLVBZLZODAZOW-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.92
Rot. Bonds6

About N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77070813) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77070813
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCOC2)CC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-16)6-12(3-4-12)9-14-7-10-2-1-5-17-8-10/h10,14,16H,1-9H2,(H2,13,15)
InChIKeyZHLVBZLZODAZOW-UHFFFAOYSA-N
XLogP0.92
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.92
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-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide (CID 77070813) is N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCC2CCCOC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is ZHLVBZLZODAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(15-16)6-12(3-4-12)9-14-7-10-2-1-5-17-8-10/h10,14,16H,1-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(oxan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).