N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide

C14H19NO2 — CID 5359145

IUPACN-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)CC1(O)CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(9-5-2-6-10-14)12-15(17)11-13-7-3-1-4-8-13/h1,3-4,7-8,11,16H,2,5-6,9-10,12H2/b15-11-
InChIKeyGHGJTYQJRZKEHE-PTNGSMBKSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide

N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide (PubChem CID 5359145) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide
PubChem CID5359145
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)CC1(O)CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(9-5-2-6-10-14)12-15(17)11-13-7-3-1-4-8-13/h1,3-4,7-8,11,16H,2,5-6,9-10,12H2/b15-11-
InChIKeyGHGJTYQJRZKEHE-PTNGSMBKSA-N
XLogP2.31
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide (CID 5359145) is N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide is [O-]/[N+](=C\c1ccccc1)CC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide?
The InChIKey is GHGJTYQJRZKEHE-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(9-5-2-6-10-14)12-15(17)11-13-7-3-1-4-8-13/h1,3-4,7-8,11,16H,2,5-6,9-10,12H2/b15-11-.
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide?
N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide has a molecular weight of 233.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-1-phenylmethanimine oxide is sourced from PubChem (CID 5359145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).