N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine

C16H23N5O — CID 599773

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine
SMILESCc1cccc(C)c1-n1nnnc1C1(N(C)O)CCCCC1
InChIInChI=1S/C16H23N5O/c1-12-8-7-9-13(2)14(12)21-15(17-18-19-21)16(20(3)22)10-5-4-6-11-16/h7-9,22H,4-6,10-11H2,1-3H3
InChIKeyQBFCOFZQZYRRFW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.76
Rot. Bonds3

About N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine (PubChem CID 599773) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine
PubChem CID599773
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine
SMILESCc1cccc(C)c1-n1nnnc1C1(N(C)O)CCCCC1
InChIInChI=1S/C16H23N5O/c1-12-8-7-9-13(2)14(12)21-15(17-18-19-21)16(20(3)22)10-5-4-6-11-16/h7-9,22H,4-6,10-11H2,1-3H3
InChIKeyQBFCOFZQZYRRFW-UHFFFAOYSA-N
XLogP2.76
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine 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 N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine (CID 599773) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine is Cc1cccc(C)c1-n1nnnc1C1(N(C)O)CCCCC1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine?
The InChIKey is QBFCOFZQZYRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-8-7-9-13(2)14(12)21-15(17-18-19-21)16(20(3)22)10-5-4-6-11-16/h7-9,22H,4-6,10-11H2,1-3H3.
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine has a molecular weight of 301.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylhydroxylamine is sourced from PubChem (CID 599773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).