3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride

C25H34ClNO2 — CID 138400608

IUPAC3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
SMILESCCCCN(CCCC)CCCOC(=O)C1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C25H33NO2.ClH/c1-3-5-16-26(17-6-4-2)18-11-19-28-25(27)24-22-14-9-7-12-20(22)21-13-8-10-15-23(21)24;/h7-10,12-15,24H,3-6,11,16-19H2,1-2H3;1H
InChIKeyBWRQEAMLTRYHGB-UHFFFAOYSA-N
MW416.01 g/mol
LogP6.06
Rot. Bonds11

About 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride

3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride (PubChem CID 138400608) has the molecular formula C25H34ClNO2 and a molecular weight of 416.01 g/mol. Its IUPAC name is 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
PubChem CID138400608
Molecular FormulaC25H34ClNO2
Molecular Weight416.01 g/mol
Exact Mass415.23
IUPAC Name3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
SMILESCCCCN(CCCC)CCCOC(=O)C1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C25H33NO2.ClH/c1-3-5-16-26(17-6-4-2)18-11-19-28-25(27)24-22-14-9-7-12-20(22)21-13-8-10-15-23(21)24;/h7-10,12-15,24H,3-6,11,16-19H2,1-2H3;1H
InChIKeyBWRQEAMLTRYHGB-UHFFFAOYSA-N
XLogP6.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.01
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
3-(dimethylamino)propyl 9H-xanthene-9-carboxylate
CID 661681
3-(dibutylamino)propyl thiophene-2-carboxylate;hydrochloride
CID 3032008
2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
3-(dibutylamino)propyl 4-fluorobenzoate;hydrochloride
CID 9951
dibutyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 3106700
bis[4-[di(nonyl)amino]butyl] benzene-1,2-dicarboxylate
CID 139956741
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
CID 70268777
2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride
CID 138401573
bis[3-(dihexylamino)propyl] benzene-1,4-dicarboxylate
CID 139956404
dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride?
The IUPAC name of 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride (CID 138400608) is 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride.
What is the SMILES notation for 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride?
The canonical SMILES for 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride is CCCCN(CCCC)CCCOC(=O)C1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride?
The InChIKey is BWRQEAMLTRYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2.ClH/c1-3-5-16-26(17-6-4-2)18-11-19-28-25(27)24-22-14-9-7-12-20(22)21-13-8-10-15-23(21)24;/h7-10,12-15,24H,3-6,11,16-19H2,1-2H3;1H.
What are the key properties of 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride?
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride has a molecular weight of 416.01 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride is sourced from PubChem (CID 138400608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).