N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine

C40H83NO — CID 88921638

IUPACN-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine
SMILESCCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)N(O)CC
InChIInChI=1S/C40H83NO/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(4,41(42)7-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h42H,5-39H2,1-4H3
InChIKeyIOEQCZQUONIDJT-UHFFFAOYSA-N
MW594.11 g/mol
LogP14.76
Rot. Bonds36

About N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine

N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine (PubChem CID 88921638) has the molecular formula C40H83NO and a molecular weight of 594.11 g/mol. Its IUPAC name is N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine
PubChem CID88921638
Molecular FormulaC40H83NO
Molecular Weight594.11 g/mol
Exact Mass593.65
IUPAC NameN-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine
SMILESCCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)N(O)CC
InChIInChI=1S/C40H83NO/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(4,41(42)7-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h42H,5-39H2,1-4H3
InChIKeyIOEQCZQUONIDJT-UHFFFAOYSA-N
XLogP14.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.11
LogP ≤ 514.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine?
The IUPAC name of N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine (CID 88921638) is N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine.
What is the SMILES notation for N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine?
The canonical SMILES for N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine is CCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)N(O)CC.
What is the InChIKey of N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine?
The InChIKey is IOEQCZQUONIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H83NO/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(4,41(42)7-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h42H,5-39H2,1-4H3.
What are the key properties of N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine?
N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine has a molecular weight of 594.11 g/mol, XLogP of 14.76, 36 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(19-methylheptatriacontan-19-yl)hydroxylamine is sourced from PubChem (CID 88921638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).