N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide

C11H23N3O3 — CID 77071408

IUPACN'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOCC(O)CN(C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O3/c1-14(6-9(15)7-17-2)8-11(3-4-11)5-10(12)13-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYOWSJLWEDZONDV-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.16
Rot. Bonds8

About N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071408) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071408
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOCC(O)CN(C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O3/c1-14(6-9(15)7-17-2)8-11(3-4-11)5-10(12)13-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYOWSJLWEDZONDV-UHFFFAOYSA-N
XLogP-0.16
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide (CID 77071408) is N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide is COCC(O)CN(C)CC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is YOWSJLWEDZONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-14(6-9(15)7-17-2)8-11(3-4-11)5-10(12)13-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 245.32 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).