N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine

C21H39NO — CID 141131937

IUPACN-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine
SMILESCC1(C)CCCC(C)(C)C1C(=NO)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C21H39NO/c1-18(2)11-9-12-19(3,4)16(18)15(22-23)17-20(5,6)13-10-14-21(17,7)8/h16-17,23H,9-14H2,1-8H3
InChIKeyMGZMWRZLJVTDBC-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.52
Rot. Bonds2

About N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine

N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine (PubChem CID 141131937) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine
PubChem CID141131937
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC NameN-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine
SMILESCC1(C)CCCC(C)(C)C1C(=NO)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C21H39NO/c1-18(2)11-9-12-19(3,4)16(18)15(22-23)17-20(5,6)13-10-14-21(17,7)8/h16-17,23H,9-14H2,1-8H3
InChIKeyMGZMWRZLJVTDBC-UHFFFAOYSA-N
XLogP6.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine?
The IUPAC name of N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine (CID 141131937) is N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine?
The canonical SMILES for N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine is CC1(C)CCCC(C)(C)C1C(=NO)C1C(C)(C)CCCC1(C)C.
What is the InChIKey of N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine?
The InChIKey is MGZMWRZLJVTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-18(2)11-9-12-19(3,4)16(18)15(22-23)17-20(5,6)13-10-14-21(17,7)8/h16-17,23H,9-14H2,1-8H3.
What are the key properties of N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine?
N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine has a molecular weight of 321.55 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2,2,6,6-tetramethylcyclohexyl)methylidene]hydroxylamine is sourced from PubChem (CID 141131937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).