N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

C17H26N2O2 — CID 107109717

IUPACN'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-8-13(10-17(3,4)9-11)21-15-12(2)6-5-7-14(15)16(18)19-20/h5-7,11,13,20H,8-10H2,1-4H3,(H2,18,19)
InChIKeyLPVIJNDOJBDVQK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.68
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 107109717) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID107109717
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-8-13(10-17(3,4)9-11)21-15-12(2)6-5-7-14(15)16(18)19-20/h5-7,11,13,20H,8-10H2,1-4H3,(H2,18,19)
InChIKeyLPVIJNDOJBDVQK-UHFFFAOYSA-N
XLogP3.68
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (CID 107109717) is N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is LPVIJNDOJBDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-8-13(10-17(3,4)9-11)21-15-12(2)6-5-7-14(15)16(18)19-20/h5-7,11,13,20H,8-10H2,1-4H3,(H2,18,19).
What are the key properties of N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 107109717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).