N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide

C15H23N3O — CID 77027428

IUPACN'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
SMILESCC1(CNCc2ccccc2C(N)=NO)CCCC1
InChIInChI=1S/C15H23N3O/c1-15(8-4-5-9-15)11-17-10-12-6-2-3-7-13(12)14(16)18-19/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H2,16,18)
InChIKeyVEVIGEGVUYPMGC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds5

About N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77027428) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
PubChem CID77027428
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
SMILESCC1(CNCc2ccccc2C(N)=NO)CCCC1
InChIInChI=1S/C15H23N3O/c1-15(8-4-5-9-15)11-17-10-12-6-2-3-7-13(12)14(16)18-19/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H2,16,18)
InChIKeyVEVIGEGVUYPMGC-UHFFFAOYSA-N
XLogP2.45
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide (CID 77027428) is N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide is CC1(CNCc2ccccc2C(N)=NO)CCCC1.
What is the InChIKey of N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is VEVIGEGVUYPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(8-4-5-9-15)11-17-10-12-6-2-3-7-13(12)14(16)18-19/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77027428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).