N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide

C14H29N3O2 — CID 106136295

IUPACN'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC1CCC(O)C1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-3-4-8-16-10-11-5-6-12(18)9-11/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17)
InChIKeyGREGOPLCFJKTRL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.68
Rot. Bonds8

About N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106136295) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
PubChem CID106136295
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC1CCC(O)C1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-3-4-8-16-10-11-5-6-12(18)9-11/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17)
InChIKeyGREGOPLCFJKTRL-UHFFFAOYSA-N
XLogP1.68
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.68
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'}

Analyze N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide 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-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 106136293
N'-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2,2-dimethylbutanimidamide
CID 77104579
N'-hydroxy-5-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2,2-dimethylpentanimidamide
CID 77104619
N'-hydroxy-5-[(3-hydroxycyclobutyl)methylamino]-2,2-dimethylpentanimidamide
CID 77111149
N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77125147
N'-hydroxy-5-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylpentanimidamide
CID 77125187
5-[(2-ethyl-4-hydroxybutyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 80297343
N'-hydroxy-2,2-dimethyl-6-[2-(oxolan-3-yl)ethylamino]hexanimidamide
CID 105938359
N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide
CID 106115549
N'-hydroxy-5-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylpentanimidamide
CID 106115554
N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide
CID 106136283
N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]butanimidamide
CID 106136297

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide (CID 106136295) is N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide is CC(C)(CCCCNCC1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is GREGOPLCFJKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-3-4-8-16-10-11-5-6-12(18)9-11/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).