1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide

C12H19N3O — CID 114654865

IUPAC1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1CC1CCCCC1
InChIInChI=1S/C12H19N3O/c13-12(14-16)11-7-4-8-15(11)9-10-5-2-1-3-6-10/h4,7-8,10,16H,1-3,5-6,9H2,(H2,13,14)
InChIKeyWDKZCOULRCIBBI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds3

About 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide

1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide (PubChem CID 114654865) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
PubChem CID114654865
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1CC1CCCCC1
InChIInChI=1S/C12H19N3O/c13-12(14-16)11-7-4-8-15(11)9-10-5-2-1-3-6-10/h4,7-8,10,16H,1-3,5-6,9H2,(H2,13,14)
InChIKeyWDKZCOULRCIBBI-UHFFFAOYSA-N
XLogP2.16
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-1-(oxan-4-ylmethyl)pyrrole-2-carboximidamide
CID 114654757
N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
CID 103139606
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
CID 114654656
1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
CID 114654762
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
CID 114654828
N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
CID 114654780
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
CID 114015889
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
CID 114654700
N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 22343319

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide?
The IUPAC name of 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide (CID 114654865) is 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide is N/C(=N/O)c1cccn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide?
The InChIKey is WDKZCOULRCIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-12(14-16)11-7-4-8-15(11)9-10-5-2-1-3-6-10/h4,7-8,10,16H,1-3,5-6,9H2,(H2,13,14).
What are the key properties of 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide?
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide is sourced from PubChem (CID 114654865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).