N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine

C19H39NO — CID 167289373

IUPACN-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine
SMILESCC(C)(C)C1CCCCCC(N(O)C(C)(C)C)CCCC1
InChIInChI=1S/C19H39NO/c1-18(2,3)16-12-8-7-9-14-17(15-11-10-13-16)20(21)19(4,5)6/h16-17,21H,7-15H2,1-6H3
InChIKeySANAKQUEFVGZES-UHFFFAOYSA-N
MW297.53 g/mol
LogP6.03
Rot. Bonds1

About N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine

N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine (PubChem CID 167289373) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine
PubChem CID167289373
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine
SMILESCC(C)(C)C1CCCCCC(N(O)C(C)(C)C)CCCC1
InChIInChI=1S/C19H39NO/c1-18(2,3)16-12-8-7-9-14-17(15-11-10-13-16)20(21)19(4,5)6/h16-17,21H,7-15H2,1-6H3
InChIKeySANAKQUEFVGZES-UHFFFAOYSA-N
XLogP6.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine?
The IUPAC name of N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine (CID 167289373) is N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine?
The canonical SMILES for N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine is CC(C)(C)C1CCCCCC(N(O)C(C)(C)C)CCCC1.
What is the InChIKey of N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine?
The InChIKey is SANAKQUEFVGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-18(2,3)16-12-8-7-9-14-17(15-11-10-13-16)20(21)19(4,5)6/h16-17,21H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine?
N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine has a molecular weight of 297.53 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(6-tert-butylcycloundecyl)hydroxylamine is sourced from PubChem (CID 167289373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).