2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol

C23H24N2O — CID 135912189

IUPAC2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol
SMILESN[C@@H]1CCCC[C@H]1/N=C(\c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c24-20-13-4-5-14-21(20)25-23(19-11-3-6-15-22(19)26)18-12-7-9-16-8-1-2-10-17(16)18/h1-3,6-12,15,20-21,26H,4-5,13-14,24H2/b25-23-/t20-,21-/m1/s1
InChIKeyIVKZCYNKTAKNIF-ZNTUXAMZSA-N
MW344.46 g/mol
LogP4.65
Rot. Bonds3

About 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol

2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol (PubChem CID 135912189) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol
PubChem CID135912189
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol
SMILESN[C@@H]1CCCC[C@H]1/N=C(\c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c24-20-13-4-5-14-21(20)25-23(19-11-3-6-15-22(19)26)18-12-7-9-16-8-1-2-10-17(16)18/h1-3,6-12,15,20-21,26H,4-5,13-14,24H2/b25-23-/t20-,21-/m1/s1
InChIKeyIVKZCYNKTAKNIF-ZNTUXAMZSA-N
XLogP4.65
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
CID 141171562
1-[2-(2,6-difluorophenyl)naphthalen-1-yl]-3-[[(1S,2S)-2-[[4-[2-(2,6-difluorophenyl)naphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]naphthalen-2-ol
CID 136732113
N-(2-aminocyclohexyl)-2-hydroxy-N-methylbenzamide
CID 102639040
1-(2-propylcyclohexyl)naphthalen-2-ol
CID 139821131
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973
1-[2-hydroxy-3-[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]iminomethyl]naphthalen-1-yl]-3-[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]iminomethyl]naphthalen-2-ol
CID 136753837
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol (CID 135912189) is 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol is N[C@@H]1CCCC[C@H]1/N=C(\c1ccccc1O)c1cccc2ccccc12.
What is the InChIKey of 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol?
The InChIKey is IVKZCYNKTAKNIF-ZNTUXAMZSA-N. The full InChI is InChI=1S/C23H24N2O/c24-20-13-4-5-14-21(20)25-23(19-11-3-6-15-22(19)26)18-12-7-9-16-8-1-2-10-17(16)18/h1-3,6-12,15,20-21,26H,4-5,13-14,24H2/b25-23-/t20-,21-/m1/s1.
What are the key properties of 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol?
2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol has a molecular weight of 344.46 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol is sourced from PubChem (CID 135912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).