hydroxylamine;2-methylnonadecane

C20H45NO — CID 87902402

IUPAChydroxylamine;2-methylnonadecane
SMILESCCCCCCCCCCCCCCCCCC(C)C.NO
InChIInChI=1S/C20H42.H3NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-2/h20H,4-19H2,1-3H3;2H,1H2
InChIKeyXZKVBOMXFQETRL-UHFFFAOYSA-N
MW315.59 g/mol
LogP7.24
Rot. Bonds16

About hydroxylamine;2-methylnonadecane

hydroxylamine;2-methylnonadecane (PubChem CID 87902402) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is hydroxylamine;2-methylnonadecane.

Molecular Properties

Compound Namehydroxylamine;2-methylnonadecane
PubChem CID87902402
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Namehydroxylamine;2-methylnonadecane
SMILESCCCCCCCCCCCCCCCCCC(C)C.NO
InChIInChI=1S/C20H42.H3NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-2/h20H,4-19H2,1-3H3;2H,1H2
InChIKeyXZKVBOMXFQETRL-UHFFFAOYSA-N
XLogP7.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 57.24
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 hydroxylamine;2-methylnonadecane 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

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;2-methylnonadecane?
The IUPAC name of hydroxylamine;2-methylnonadecane (CID 87902402) is hydroxylamine;2-methylnonadecane.
What is the SMILES notation for hydroxylamine;2-methylnonadecane?
The canonical SMILES for hydroxylamine;2-methylnonadecane is CCCCCCCCCCCCCCCCCC(C)C.NO.
What is the InChIKey of hydroxylamine;2-methylnonadecane?
The InChIKey is XZKVBOMXFQETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.H3NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-2/h20H,4-19H2,1-3H3;2H,1H2.
What are the key properties of hydroxylamine;2-methylnonadecane?
hydroxylamine;2-methylnonadecane has a molecular weight of 315.59 g/mol, XLogP of 7.24, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;2-methylnonadecane is sourced from PubChem (CID 87902402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).