9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride

C19H23ClN2O2 — CID 56777061

IUPAC9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride
SMILESCl.NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O2.ClH/c20-11-5-6-12-21-19(22)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18H,5-6,11-13,20H2,(H,21,22);1H
InChIKeyJHRHSAILHBJRLU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.69
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride (PubChem CID 56777061) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride
PubChem CID56777061
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride
SMILESCl.NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O2.ClH/c20-11-5-6-12-21-19(22)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18H,5-6,11-13,20H2,(H,21,22);1H
InChIKeyJHRHSAILHBJRLU-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.69
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-(4-aminobutyl)carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride (CID 56777061) is 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride is Cl.NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride?
The InChIKey is JHRHSAILHBJRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-11-5-6-12-21-19(22)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18H,5-6,11-13,20H2,(H,21,22);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.69, 6 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-(4-aminobutyl)carbamate;hydrochloride is sourced from PubChem (CID 56777061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).