9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate

C21H23NO2 — CID 71433298

IUPAC9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
SMILESNC1(C(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1
InChIInChI=1S/C21H23NO2/c22-21(12-6-1-7-13-21)20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14,22H2
InChIKeyOZCJYPVTAXVBSJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.00
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate

9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate (PubChem CID 71433298) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
PubChem CID71433298
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
SMILESNC1(C(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1
InChIInChI=1S/C21H23NO2/c22-21(12-6-1-7-13-21)20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14,22H2
InChIKeyOZCJYPVTAXVBSJ-UHFFFAOYSA-N
XLogP4.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl 3-methyldithiirane-3-carboxylate
CID 58932762
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 61278448
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate (CID 71433298) is 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate is NC1(C(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate?
The InChIKey is OZCJYPVTAXVBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c22-21(12-6-1-7-13-21)20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14,22H2.
What are the key properties of 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate?
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 71433298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).