octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine

C29H60N2O2 — CID 67933713

IUPACoctadecyl carbamate;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C19H39NO2.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;1-8-6-9(2,3)11-10(4,5)7-8/h2-18H2,1H3,(H2,20,21);8,11H,6-7H2,1-5H3
InChIKeyWULUBVCAUXBSJR-UHFFFAOYSA-N
MW468.81 g/mol
LogP8.91
Rot. Bonds17

About octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine

octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine (PubChem CID 67933713) has the molecular formula C29H60N2O2 and a molecular weight of 468.81 g/mol. Its IUPAC name is octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Nameoctadecyl carbamate;2,2,4,6,6-pentamethylpiperidine
PubChem CID67933713
Molecular FormulaC29H60N2O2
Molecular Weight468.81 g/mol
Exact Mass468.47
IUPAC Nameoctadecyl carbamate;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C19H39NO2.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;1-8-6-9(2,3)11-10(4,5)7-8/h2-18H2,1H3,(H2,20,21);8,11H,6-7H2,1-5H3
InChIKeyWULUBVCAUXBSJR-UHFFFAOYSA-N
XLogP8.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine (CID 67933713) is octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCCCCCCCOC(N)=O.
What is the InChIKey of octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is WULUBVCAUXBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;1-8-6-9(2,3)11-10(4,5)7-8/h2-18H2,1H3,(H2,20,21);8,11H,6-7H2,1-5H3.
What are the key properties of octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine?
octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 468.81 g/mol, XLogP of 8.91, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl carbamate;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 67933713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).