3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride

C25H35ClN2O5 — CID 121333145

IUPAC3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride
SMILESCl.NCCCOCCOCCOCCCN(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H34N2O5.ClH/c26-11-5-13-30-15-17-32-18-16-31-14-6-12-27(25(28)29)19-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24;/h1-4,7-10,24H,5-6,11-19,26H2,(H,28,29);1H
InChIKeyQVOMMTZEFYGATM-UHFFFAOYSA-N
MW479.02 g/mol
LogP3.99
Rot. Bonds15

About 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride

3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride (PubChem CID 121333145) has the molecular formula C25H35ClN2O5 and a molecular weight of 479.02 g/mol. Its IUPAC name is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride
PubChem CID121333145
Molecular FormulaC25H35ClN2O5
Molecular Weight479.02 g/mol
Exact Mass478.22
IUPAC Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride
SMILESCl.NCCCOCCOCCOCCCN(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H34N2O5.ClH/c26-11-5-13-30-15-17-32-18-16-31-14-6-12-27(25(28)29)19-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24;/h1-4,7-10,24H,5-6,11-19,26H2,(H,28,29);1H
InChIKeyQVOMMTZEFYGATM-UHFFFAOYSA-N
XLogP3.99
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.02
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
CID 118902712
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride
CID 75492694
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
CID 176817151
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid
CID 170900524

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride?
The IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride (CID 121333145) is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride.
What is the SMILES notation for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride?
The canonical SMILES for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride is Cl.NCCCOCCOCCOCCCN(CC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride?
The InChIKey is QVOMMTZEFYGATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5.ClH/c26-11-5-13-30-15-17-32-18-16-31-14-6-12-27(25(28)29)19-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24;/h1-4,7-10,24H,5-6,11-19,26H2,(H,28,29);1H.
What are the key properties of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride?
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride has a molecular weight of 479.02 g/mol, XLogP of 3.99, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride is sourced from PubChem (CID 121333145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).