N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

C11H23N3O2 — CID 104985381

IUPACN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-10(12)13-16)14(2)8-11(15)5-3-4-6-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyOHAQVVRBNXBMIU-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds5

About N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (PubChem CID 104985381) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
PubChem CID104985381
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-10(12)13-16)14(2)8-11(15)5-3-4-6-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyOHAQVVRBNXBMIU-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77027818
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028240
3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
CID 77056279
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-hydroxycyclohexyl)methylamino]butanimidamide
CID 77056321
N'-hydroxy-3-[(1-hydroxycyclohexyl)methylamino]pentanimidamide
CID 77056334
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (CID 104985381) is N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is CC(CC(N)=NO)N(C)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The InChIKey is OHAQVVRBNXBMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-10(12)13-16)14(2)8-11(15)5-3-4-6-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 104985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).