9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate

C26H32N2O2 — CID 171951149

IUPAC9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
SMILESCN1C2CCCC1CC(CCNC(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C26H32N2O2/c1-28-19-7-6-8-20(28)16-18(15-19)13-14-27-26(29)30-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,27,29)
InChIKeyKSLAETAZFHBKHZ-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.18
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate (PubChem CID 171951149) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
PubChem CID171951149
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
SMILESCN1C2CCCC1CC(CCNC(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C26H32N2O2/c1-28-19-7-6-8-20(28)16-18(15-19)13-14-27-26(29)30-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,27,29)
InChIKeyKSLAETAZFHBKHZ-UHFFFAOYSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate with MolForge

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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-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951144
9H-fluoren-9-ylmethyl 3-propyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951277
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
(2S,4R)-4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 98041208
9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
CID 10904539
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate (CID 171951149) is 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate is CN1C2CCCC1CC(CCNC(=O)OCC1c3ccccc3-c3ccccc31)C2.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate?
The InChIKey is KSLAETAZFHBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-28-19-7-6-8-20(28)16-18(15-19)13-14-27-26(29)30-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,27,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate has a molecular weight of 404.55 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate is sourced from PubChem (CID 171951149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).