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

C12H23N3O3 — CID 104762096

IUPACN'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOC1(CNCC2(CC(N)=NO)CC2)CCOC1
InChIInChI=1S/C12H23N3O3/c1-17-12(4-5-18-9-12)8-14-7-11(2-3-11)6-10(13)15-16/h14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyUKQDWOSRNACHBW-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.30
Rot. Bonds7

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

N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 104762096) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID104762096
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOC1(CNCC2(CC(N)=NO)CC2)CCOC1
InChIInChI=1S/C12H23N3O3/c1-17-12(4-5-18-9-12)8-14-7-11(2-3-11)6-10(13)15-16/h14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyUKQDWOSRNACHBW-UHFFFAOYSA-N
XLogP0.30
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.30
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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Related Compounds

2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070614
N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070720
2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070769
N'-hydroxy-2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070868
N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071020
2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071690
N'-hydroxy-2-[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 80178622
N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide
CID 80714290
N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 82728164
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 103534062
N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 104762052
N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 104762073

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide (CID 104762096) is N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide is COC1(CNCC2(CC(N)=NO)CC2)CCOC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is UKQDWOSRNACHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-17-12(4-5-18-9-12)8-14-7-11(2-3-11)6-10(13)15-16/h14,16H,2-9H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 257.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104762096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).