9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate

C22H26N2O2 — CID 167441327

IUPAC9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC(N)CC1
InChIInChI=1S/C22H26N2O2/c1-24(16-12-10-15(23)11-13-16)22(25)26-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,23H2,1H3
InChIKeyPNXGSZMNLBHTHL-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.14
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate

9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate (PubChem CID 167441327) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
PubChem CID167441327
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC(N)CC1
InChIInChI=1S/C22H26N2O2/c1-24(16-12-10-15(23)11-13-16)22(25)26-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,23H2,1H3
InChIKeyPNXGSZMNLBHTHL-UHFFFAOYSA-N
XLogP4.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 170917274
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
CID 157184389
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid
CID 104866498
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate (CID 167441327) is 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate is CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC(N)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The InChIKey is PNXGSZMNLBHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(16-12-10-15(23)11-13-16)22(25)26-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,23H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate?
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 4.14, 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 N-(4-aminocyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 167441327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).