9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate

C21H26N2O2 — CID 2794279

IUPAC9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate
SMILESNCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c22-13-7-1-2-8-14-23-21(24)25-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15,22H2,(H,23,24)
InChIKeyIRXOHINXQUNLTD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.04
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate

9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate (PubChem CID 2794279) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate
PubChem CID2794279
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate
SMILESNCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c22-13-7-1-2-8-14-23-21(24)25-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15,22H2,(H,23,24)
InChIKeyIRXOHINXQUNLTD-UHFFFAOYSA-N
XLogP4.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate (CID 2794279) is 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate is NCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate?
The InChIKey is IRXOHINXQUNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-13-7-1-2-8-14-23-21(24)25-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15,22H2,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate?
9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate is sourced from PubChem (CID 2794279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).