N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine

C15H21N5O — CID 3348112

IUPACN-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine
SMILESCc1ccccc1-n1nnnc1C1(N(C)O)CCCCC1
InChIInChI=1S/C15H21N5O/c1-12-8-4-5-9-13(12)20-14(16-17-18-20)15(19(2)21)10-6-3-7-11-15/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3
InChIKeyROMQBOXYPCWWRC-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine

N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine (PubChem CID 3348112) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine
PubChem CID3348112
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine
SMILESCc1ccccc1-n1nnnc1C1(N(C)O)CCCCC1
InChIInChI=1S/C15H21N5O/c1-12-8-4-5-9-13(12)20-14(16-17-18-20)15(19(2)21)10-6-3-7-11-15/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3
InChIKeyROMQBOXYPCWWRC-UHFFFAOYSA-N
XLogP2.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine?
The IUPAC name of N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine (CID 3348112) is N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine is Cc1ccccc1-n1nnnc1C1(N(C)O)CCCCC1.
What is the InChIKey of N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine?
The InChIKey is ROMQBOXYPCWWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-8-4-5-9-13(12)20-14(16-17-18-20)15(19(2)21)10-6-3-7-11-15/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine?
N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine has a molecular weight of 287.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]hydroxylamine is sourced from PubChem (CID 3348112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).