2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H23N3O3 — CID 103534062

IUPAC2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCOC1CN(CC2(CC(N)=NO)CC2)CC1OC
InChIInChI=1S/C12H23N3O3/c1-17-9-6-15(7-10(9)18-2)8-12(3-4-12)5-11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
InChIKeyBBBCSZSDVOYFGR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.25
Rot. Bonds6

About 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 103534062) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID103534062
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCOC1CN(CC2(CC(N)=NO)CC2)CC1OC
InChIInChI=1S/C12H23N3O3/c1-17-9-6-15(7-10(9)18-2)8-12(3-4-12)5-11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
InChIKeyBBBCSZSDVOYFGR-UHFFFAOYSA-N
XLogP0.25
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
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-Hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
CID 65492733
N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070667
2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070769
N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071359
2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071377
N'-hydroxy-2-[1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071405
N'-hydroxy-2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071408
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071509
N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide
CID 77071538
N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071582
N'-hydroxy-2-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopropyl]ethanimidamide
CID 77071585
2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071608

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 103534062) is 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is COC1CN(CC2(CC(N)=NO)CC2)CC1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is BBBCSZSDVOYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-17-9-6-15(7-10(9)18-2)8-12(3-4-12)5-11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 257.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103534062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).