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

C11H21N3O2 — CID 77071020

IUPACN'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCOC2)CC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(14-15)5-11(2-3-11)8-13-6-9-1-4-16-7-9/h9,13,15H,1-8H2,(H2,12,14)
InChIKeyJADOWTDECRWTLW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.53
Rot. Bonds6

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

N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071020) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77071020
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCOC2)CC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(14-15)5-11(2-3-11)8-13-6-9-1-4-16-7-9/h9,13,15H,1-8H2,(H2,12,14)
InChIKeyJADOWTDECRWTLW-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.53
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-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide (CID 77071020) is N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCC2CCOC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is JADOWTDECRWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(14-15)5-11(2-3-11)8-13-6-9-1-4-16-7-9/h9,13,15H,1-8H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.53, 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-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).