N-hexadecan-2-ylhydroxylamine

C16H35NO — CID 54390562

IUPACN-hexadecan-2-ylhydroxylamine
SMILESCCCCCCCCCCCCCCC(C)NO
InChIInChI=1S/C16H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18/h16-18H,3-15H2,1-2H3
InChIKeyVGINFZNJMJYFES-UHFFFAOYSA-N
MW257.46 g/mol
LogP5.44
Rot. Bonds14

About N-hexadecan-2-ylhydroxylamine

N-hexadecan-2-ylhydroxylamine (PubChem CID 54390562) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-hexadecan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-hexadecan-2-ylhydroxylamine
PubChem CID54390562
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-hexadecan-2-ylhydroxylamine
SMILESCCCCCCCCCCCCCCC(C)NO
InChIInChI=1S/C16H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18/h16-18H,3-15H2,1-2H3
InChIKeyVGINFZNJMJYFES-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.46
LogP ≤ 55.44
H-Bond Donors ≤ 52
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'}

Analyze N-hexadecan-2-ylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pentadecan-2-ylamino)ethanol
CID 90985657
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-methyltetradecan-2-amine
CID 54073704
N-bromodecan-2-amine
CID 150287649
N-fluorooctan-2-amine
CID 88597566
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
N-dodecan-2-ylpropanamide
CID 174988669
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715

Frequently Asked Questions

What is the IUPAC name of N-hexadecan-2-ylhydroxylamine?
The IUPAC name of N-hexadecan-2-ylhydroxylamine (CID 54390562) is N-hexadecan-2-ylhydroxylamine.
What is the SMILES notation for N-hexadecan-2-ylhydroxylamine?
The canonical SMILES for N-hexadecan-2-ylhydroxylamine is CCCCCCCCCCCCCCC(C)NO.
What is the InChIKey of N-hexadecan-2-ylhydroxylamine?
The InChIKey is VGINFZNJMJYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18/h16-18H,3-15H2,1-2H3.
What are the key properties of N-hexadecan-2-ylhydroxylamine?
N-hexadecan-2-ylhydroxylamine has a molecular weight of 257.46 g/mol, XLogP of 5.44, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecan-2-ylhydroxylamine is sourced from PubChem (CID 54390562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).