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

C12H25N3O2 — CID 104985383

IUPACN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-11(13)14-17)15(2)9-12(16)6-4-5-7-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyJVMVXLVKUAHAPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds6

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

N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (PubChem CID 104985383) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
PubChem CID104985383
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-11(13)14-17)15(2)9-12(16)6-4-5-7-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyJVMVXLVKUAHAPF-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
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-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide 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-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]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (CID 104985383) is N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide is CCC(CC(N)=NO)N(C)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The InChIKey is JVMVXLVKUAHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(8-11(13)14-17)15(2)9-12(16)6-4-5-7-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 6 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]pentanimidamide is sourced from PubChem (CID 104985383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).