9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride

C32H29ClN2O4 — CID 175810775

IUPAC9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride
SMILESCl.NCCN(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28N2O4.ClH/c33-16-17-34(31(35)37-19-22-9-7-15-24-23-10-2-1-8-21(23)18-29(22)24)32(36)38-20-30-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30;/h1-15,30H,16-20,33H2;1H
InChIKeyAHTXKRAYGZTQIP-UHFFFAOYSA-N
MW541.05 g/mol
LogP6.53
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride (PubChem CID 175810775) has the molecular formula C32H29ClN2O4 and a molecular weight of 541.05 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride
PubChem CID175810775
Molecular FormulaC32H29ClN2O4
Molecular Weight541.05 g/mol
Exact Mass540.18
IUPAC Name9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride
SMILESCl.NCCN(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28N2O4.ClH/c33-16-17-34(31(35)37-19-22-9-7-15-24-23-10-2-1-8-21(23)18-29(22)24)32(36)38-20-30-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30;/h1-15,30H,16-20,33H2;1H
InChIKeyAHTXKRAYGZTQIP-UHFFFAOYSA-N
XLogP6.53
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.05
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
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9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
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5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid
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CID 178135145
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
2-[amino(9H-fluoren-1-ylmethoxycarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 175280707
9H-fluoren-1-ylmethyl nitrate
CID 174713486
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride (CID 175810775) is 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride is Cl.NCCN(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride?
The InChIKey is AHTXKRAYGZTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4.ClH/c33-16-17-34(31(35)37-19-22-9-7-15-24-23-10-2-1-8-21(23)18-29(22)24)32(36)38-20-30-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30;/h1-15,30H,16-20,33H2;1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride has a molecular weight of 541.05 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride is sourced from PubChem (CID 175810775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).