9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate

C18H20N2O2 — CID 2794280

IUPAC9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate
SMILESNCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20N2O2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,19H2,(H,20,21)
InChIKeyLRAMQBKQEYONOM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.87
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate

9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate (PubChem CID 2794280) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate
PubChem CID2794280
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate
SMILESNCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20N2O2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,19H2,(H,20,21)
InChIKeyLRAMQBKQEYONOM-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.87
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-(3-aminopropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate (CID 2794280) is 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate is NCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate?
The InChIKey is LRAMQBKQEYONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,19H2,(H,20,21).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.87, 5 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-(3-aminopropyl)carbamate is sourced from PubChem (CID 2794280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).