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'}

Analyze 4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).