4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide

C16H25N3O — CID 77025574

IUPAC4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CCCCCCC2)cc1
InChIInChI=1S/C16H25N3O/c17-16(19-20)14-10-8-13(9-11-14)12-18-15-6-4-2-1-3-5-7-15/h8-11,15,18,20H,1-7,12H2,(H2,17,19)
InChIKeyKHJIDTMXPIYPOO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.98
Rot. Bonds4

About 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide

4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77025574) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77025574
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CCCCCCC2)cc1
InChIInChI=1S/C16H25N3O/c17-16(19-20)14-10-8-13(9-11-14)12-18-15-6-4-2-1-3-5-7-15/h8-11,15,18,20H,1-7,12H2,(H2,17,19)
InChIKeyKHJIDTMXPIYPOO-UHFFFAOYSA-N
XLogP2.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.98
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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Related Compounds

4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
benzene;N-benzylcyclohexanamine
CID 142622843
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77025574) is 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNC2CCCCCCC2)cc1.
What is the InChIKey of 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is KHJIDTMXPIYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(19-20)14-10-8-13(9-11-14)12-18-15-6-4-2-1-3-5-7-15/h8-11,15,18,20H,1-7,12H2,(H2,17,19).
What are the key properties of 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77025574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).