N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

C11H23N3O2 — CID 104985385

IUPACN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILESCN(CCCC(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O2/c1-14(8-4-5-10(12)13-16)9-11(15)6-2-3-7-11/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyKRIWWANOHFYHLR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds6

About N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (PubChem CID 104985385) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
PubChem CID104985385
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILESCN(CCCC(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O2/c1-14(8-4-5-10(12)13-16)9-11(15)6-2-3-7-11/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyKRIWWANOHFYHLR-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.75
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-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (CID 104985385) is N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is CN(CCCC(N)=NO)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The InChIKey is KRIWWANOHFYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(8-4-5-10(12)13-16)9-11(15)6-2-3-7-11/h15-16H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 104985385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).