hexadecan-1-amine;pyrrole-2,5-dione

C20H38N2O2 — CID 135205573

IUPAChexadecan-1-amine;pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C16H35N.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;6-3-1-2-4(7)5-3/h2-17H2,1H3;1-2H,(H,5,6,7)
InChIKeyJAYGMTPFSCQRKH-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.63
Rot. Bonds14

About hexadecan-1-amine;pyrrole-2,5-dione

hexadecan-1-amine;pyrrole-2,5-dione (PubChem CID 135205573) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is hexadecan-1-amine;pyrrole-2,5-dione.

Molecular Properties

Compound Namehexadecan-1-amine;pyrrole-2,5-dione
PubChem CID135205573
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Namehexadecan-1-amine;pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C16H35N.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;6-3-1-2-4(7)5-3/h2-17H2,1H3;1-2H,(H,5,6,7)
InChIKeyJAYGMTPFSCQRKH-UHFFFAOYSA-N
XLogP4.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;pyrrole-2,5-dione?
The IUPAC name of hexadecan-1-amine;pyrrole-2,5-dione (CID 135205573) is hexadecan-1-amine;pyrrole-2,5-dione.
What is the SMILES notation for hexadecan-1-amine;pyrrole-2,5-dione?
The canonical SMILES for hexadecan-1-amine;pyrrole-2,5-dione is CCCCCCCCCCCCCCCCN.O=C1C=CC(=O)N1.
What is the InChIKey of hexadecan-1-amine;pyrrole-2,5-dione?
The InChIKey is JAYGMTPFSCQRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;6-3-1-2-4(7)5-3/h2-17H2,1H3;1-2H,(H,5,6,7).
What are the key properties of hexadecan-1-amine;pyrrole-2,5-dione?
hexadecan-1-amine;pyrrole-2,5-dione has a molecular weight of 338.54 g/mol, XLogP of 4.63, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;pyrrole-2,5-dione is sourced from PubChem (CID 135205573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).