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

C12H23N3O3 — CID 106101870

IUPACN'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCC1OCCC1(O)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H23N3O3/c1-9-12(16,4-5-18-9)8-14-7-11(2-3-11)6-10(13)15-17/h9,14,16-17H,2-8H2,1H3,(H2,13,15)
InChIKeyRHNHFVFWLZKIOD-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.03
Rot. Bonds6

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

N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 106101870) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID106101870
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCC1OCCC1(O)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H23N3O3/c1-9-12(16,4-5-18-9)8-14-7-11(2-3-11)6-10(13)15-17/h9,14,16-17H,2-8H2,1H3,(H2,13,15)
InChIKeyRHNHFVFWLZKIOD-UHFFFAOYSA-N
XLogP0.03
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.03
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863
N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070667
N'-hydroxy-2-[1-[[(4-hydroxyoxan-4-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 81130813
N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 82728164
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 104762096
2-[1-[[(2,3-dimethyloxolan-3-yl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 105663831
N'-hydroxy-2-[1-[[(2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 105739454
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039
N'-hydroxy-6-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylhexanimidamide
CID 106101835
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 106101840
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 106101844
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide (CID 106101870) is N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide is CC1OCCC1(O)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is RHNHFVFWLZKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9-12(16,4-5-18-9)8-14-7-11(2-3-11)6-10(13)15-17/h9,14,16-17H,2-8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 257.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 106101870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).