N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide

C13H27N3O2 — CID 104985389

IUPACN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-18)8-9-16(3)10-13(17)6-4-5-7-13/h17-18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyYJSYPBNIMMWMHK-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.39
Rot. Bonds6

About N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide (PubChem CID 104985389) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide
PubChem CID104985389
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-18)8-9-16(3)10-13(17)6-4-5-7-13/h17-18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyYJSYPBNIMMWMHK-UHFFFAOYSA-N
XLogP1.39
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.39
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

N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056283
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056315
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062659
5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063378
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpentanimidamide
CID 77063379
N'-hydroxy-2-[1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 77070624
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 79380050
N'-hydroxy-5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79380231
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 104876713

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide (CID 104985389) is N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide is CN(CCC(C)(C)C(N)=NO)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is YJSYPBNIMMWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,11(14)15-18)8-9-16(3)10-13(17)6-4-5-7-13/h17-18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.39, 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]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104985389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).