N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide

C14H21N3O2 — CID 77028030

IUPACN'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-13(17-19)12-5-3-4-11(8-12)9-16-14(10-18)6-1-2-7-14/h3-5,8,16,18-19H,1-2,6-7,9-10H2,(H2,15,17)
InChIKeyZGRICXFSUNAAAX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds5

About N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide (PubChem CID 77028030) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
PubChem CID77028030
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-13(17-19)12-5-3-4-11(8-12)9-16-14(10-18)6-1-2-7-14/h3-5,8,16,18-19H,1-2,6-7,9-10H2,(H2,15,17)
InChIKeyZGRICXFSUNAAAX-UHFFFAOYSA-N
XLogP1.18
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide (CID 77028030) is N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide is NC(=NO)c1cccc(CNC2(CO)CCCC2)c1.
What is the InChIKey of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The InChIKey is ZGRICXFSUNAAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13(17-19)12-5-3-4-11(8-12)9-16-14(10-18)6-1-2-7-14/h3-5,8,16,18-19H,1-2,6-7,9-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77028030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).