N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide

C12H21N3O2 — CID 66370671

IUPACN'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
SMILESN/C(CC1(CN2CC3CCC(C2)O3)CC1)=N\O
InChIInChI=1S/C12H21N3O2/c13-11(14-16)5-12(3-4-12)8-15-6-9-1-2-10(7-15)17-9/h9-10,16H,1-8H2,(H2,13,14)
InChIKeyVOXRFEMLUXIDPQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.77
Rot. Bonds4

About N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide (PubChem CID 66370671) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
PubChem CID66370671
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
SMILESN/C(CC1(CN2CC3CCC(C2)O3)CC1)=N\O
InChIInChI=1S/C12H21N3O2/c13-11(14-16)5-12(3-4-12)8-15-6-9-1-2-10(7-15)17-9/h9-10,16H,1-8H2,(H2,13,14)
InChIKeyVOXRFEMLUXIDPQ-UHFFFAOYSA-N
XLogP0.77
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
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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Related Compounds

N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250
[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
CID 177326111
2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071383
2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071581
N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 77071455
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol
CID 66393084
2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77070723
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide (CID 66370671) is N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide is N/C(CC1(CN2CC3CCC(C2)O3)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide?
The InChIKey is VOXRFEMLUXIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(14-16)5-12(3-4-12)8-15-6-9-1-2-10(7-15)17-9/h9-10,16H,1-8H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 66370671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).