9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride

C24H33ClN2O2 — CID 139208949

IUPAC9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
SMILESCl.NCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H32N2O2.ClH/c25-16-10-4-2-1-3-5-11-17-26-24(27)28-18-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23;/h6-9,12-15,23H,1-5,10-11,16-18,25H2,(H,26,27);1H
InChIKeyJGQITFJZXOOPMT-UHFFFAOYSA-N
MW416.99 g/mol
LogP5.64
Rot. Bonds11

About 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride (PubChem CID 139208949) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
PubChem CID139208949
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC Name9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
SMILESCl.NCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H32N2O2.ClH/c25-16-10-4-2-1-3-5-11-17-26-24(27)28-18-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23;/h6-9,12-15,23H,1-5,10-11,16-18,25H2,(H,26,27);1H
InChIKeyJGQITFJZXOOPMT-UHFFFAOYSA-N
XLogP5.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.99
LogP ≤ 55.64
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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Related Compounds

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9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
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9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride (CID 139208949) is 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride is Cl.NCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride?
The InChIKey is JGQITFJZXOOPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.ClH/c25-16-10-4-2-1-3-5-11-17-26-24(27)28-18-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23;/h6-9,12-15,23H,1-5,10-11,16-18,25H2,(H,26,27);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride has a molecular weight of 416.99 g/mol, XLogP of 5.64, 11 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-(9-aminononyl)carbamate;hydrochloride is sourced from PubChem (CID 139208949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).