2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol

C15H22N2O2 — CID 138487256

IUPAC2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(N=O)c1
InChIInChI=1S/C15H22N2O2/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(10-12)16-19/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyUPSZLHGXEYAMIQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds4

About 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol (PubChem CID 138487256) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol
PubChem CID138487256
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(N=O)c1
InChIInChI=1S/C15H22N2O2/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(10-12)16-19/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyUPSZLHGXEYAMIQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol (CID 138487256) is 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol is CN(C)CC1CCCCC1(O)c1cccc(N=O)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol?
The InChIKey is UPSZLHGXEYAMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(10-12)16-19/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol is sourced from PubChem (CID 138487256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).