N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide

C12H25N3O2 — CID 77125147

IUPACN'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CCCC1O)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)15-17)6-7-14-8-9-4-3-5-10(9)16/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyCYGBUUNGUFFLSH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.90
Rot. Bonds6

About N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide (PubChem CID 77125147) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
PubChem CID77125147
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CCCC1O)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)15-17)6-7-14-8-9-4-3-5-10(9)16/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyCYGBUUNGUFFLSH-UHFFFAOYSA-N
XLogP0.90
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide (CID 77125147) is N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide is CC(C)(CCNCC1CCCC1O)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is CYGBUUNGUFFLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,11(13)15-17)6-7-14-8-9-4-3-5-10(9)16/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77125147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).