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

C9H19N3O2 — CID 104985380

IUPACN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C9H19N3O2/c1-12(6-8(10)11-14)7-9(13)4-2-3-5-9/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyYNZNBYFMOCIQSC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds4

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

N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide (PubChem CID 104985380) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
PubChem CID104985380
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C9H19N3O2/c1-12(6-8(10)11-14)7-9(13)4-2-3-5-9/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyYNZNBYFMOCIQSC-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370240
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77056282
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056283
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056288
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056315
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056349
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056372
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062659
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpentanimidamide
CID 77063379

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide (CID 104985380) is N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide is CN(CC(N)=NO)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The InChIKey is YNZNBYFMOCIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(6-8(10)11-14)7-9(13)4-2-3-5-9/h13-14H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide is sourced from PubChem (CID 104985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).