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

C10H21N3O2 — CID 104985384

IUPACN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H21N3O2/c1-8(9(11)12-15)13(2)7-10(14)5-3-4-6-10/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLROLACSXOCPYDO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

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

N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide (PubChem CID 104985384) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
PubChem CID104985384
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H21N3O2/c1-8(9(11)12-15)13(2)7-10(14)5-3-4-6-10/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLROLACSXOCPYDO-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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'}

Analyze N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370240
N'-hydroxy-2-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77028451
N'-hydroxy-2-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77028874
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-hydroxycyclohexyl)methylamino]butanimidamide
CID 77056350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide (CID 104985384) is N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide is CC(C(N)=NO)N(C)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The InChIKey is LROLACSXOCPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(9(11)12-15)13(2)7-10(14)5-3-4-6-10/h8,14-15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 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]propanimidamide is sourced from PubChem (CID 104985384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).