N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide

C13H23N3O3 — CID 103536725

IUPACN'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCOC1CCN(C(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-19-10-5-8-16(9-10)12(17)13(11(14)15-18)6-3-2-4-7-13/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyHSMLBXGVEKZVDS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.93
Rot. Bonds3

About N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide

N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide (PubChem CID 103536725) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
PubChem CID103536725
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCOC1CCN(C(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-19-10-5-8-16(9-10)12(17)13(11(14)15-18)6-3-2-4-7-13/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyHSMLBXGVEKZVDS-UHFFFAOYSA-N
XLogP0.93
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
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

1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76921686
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 113356031
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
CID 104871302

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide (CID 103536725) is N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide is COC1CCN(C(=O)C2(C(N)=NO)CCCCC2)C1.
What is the InChIKey of N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide?
The InChIKey is HSMLBXGVEKZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-10-5-8-16(9-10)12(17)13(11(14)15-18)6-3-2-4-7-13/h10,18H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide has a molecular weight of 269.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide is sourced from PubChem (CID 103536725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).