9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate

C21H26N2O3 — CID 142240422

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
SMILESNCCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O3/c22-11-5-13-25-14-6-12-23-21(24)26-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20H,5-6,11-15,22H2,(H,23,24)
InChIKeyCTUXYGSZSIKXFT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate (PubChem CID 142240422) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
PubChem CID142240422
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
SMILESNCCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O3/c22-11-5-13-25-14-6-12-23-21(24)26-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20H,5-6,11-15,22H2,(H,23,24)
InChIKeyCTUXYGSZSIKXFT-UHFFFAOYSA-N
XLogP3.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate (CID 142240422) is 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate is NCCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate?
The InChIKey is CTUXYGSZSIKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c22-11-5-13-25-14-6-12-23-21(24)26-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20H,5-6,11-15,22H2,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate is sourced from PubChem (CID 142240422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).