N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide

C12H23N3O2 — CID 77125159

IUPACN'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCC2O)CC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)6-12(4-5-12)8-14-7-9-2-1-3-10(9)16/h9-10,14,16-17H,1-8H2,(H2,13,15)
InChIKeyFIYOCCBPLOTAJV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77125159) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77125159
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCC2O)CC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)6-12(4-5-12)8-14-7-9-2-1-3-10(9)16/h9-10,14,16-17H,1-8H2,(H2,13,15)
InChIKeyFIYOCCBPLOTAJV-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.65
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369936
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103370077
N'-hydroxy-2-[1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070967
N'-hydroxy-2-[1-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071064
N'-hydroxy-2-[1-[[(2-hydroxycyclohexyl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071083
N'-hydroxy-2-[1-[(3-hydroxybutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071134
N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]cyclopropyl]ethanimidamide
CID 77104599
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77125142
N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77125147
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]propanimidamide
CID 77125148
N'-hydroxy-5-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125149
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125168

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide (CID 77125159) is N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCC2CCCC2O)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is FIYOCCBPLOTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(15-17)6-12(4-5-12)8-14-7-9-2-1-3-10(9)16/h9-10,14,16-17H,1-8H2,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77125159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).