N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide

C11H21N3O2 — CID 82728164

IUPACN'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1OCCC1NCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8-9(2-5-16-8)13-7-11(3-4-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14)
InChIKeyDEMCRQBNCJFFSZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.67
Rot. Bonds5

About N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 82728164) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID82728164
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1OCCC1NCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8-9(2-5-16-8)13-7-11(3-4-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14)
InChIKeyDEMCRQBNCJFFSZ-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.67
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-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide (CID 82728164) is N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide is CC1OCCC1NCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is DEMCRQBNCJFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-9(2-5-16-8)13-7-11(3-4-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 82728164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).