9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate

C24H28N2O2 — CID 171951173

IUPAC9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
SMILESO=C(NCC1CC2CCCC(C1)N2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O2/c27-24(25-14-16-12-17-6-5-7-18(13-16)26-17)28-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23,26H,5-7,12-15H2,(H,25,27)
InChIKeyQXGMJMTUPGUVBP-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.45
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate

9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate (PubChem CID 171951173) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
PubChem CID171951173
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
SMILESO=C(NCC1CC2CCCC(C1)N2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O2/c27-24(25-14-16-12-17-6-5-7-18(13-16)26-17)28-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23,26H,5-7,12-15H2,(H,25,27)
InChIKeyQXGMJMTUPGUVBP-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
CID 122705893
sodium 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylate
CID 69129851
9H-fluoren-9-ylmethyl N-[[(2R)-piperidin-2-yl]methyl]carbamate
CID 25418234
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178195541
2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid
CID 165476394
cis-(1S,3R)-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198337
3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2,2-difluoropropanoic acid
CID 178195506
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171951149

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate (CID 171951173) is 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate is O=C(NCC1CC2CCCC(C1)N2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate?
The InChIKey is QXGMJMTUPGUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(25-14-16-12-17-6-5-7-18(13-16)26-17)28-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23,26H,5-7,12-15H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate?
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate has a molecular weight of 376.50 g/mol, XLogP of 4.45, 4 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-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate is sourced from PubChem (CID 171951173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).