9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate

C16H16N2O2 — CID 10563828

IUPAC9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-18(17)16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10,17H2,1H3
InChIKeyXMDBCHVNHJBYMO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds2

About 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate

9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate (PubChem CID 10563828) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
PubChem CID10563828
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-18(17)16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10,17H2,1H3
InChIKeyXMDBCHVNHJBYMO-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
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2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
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9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
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CID 117065495
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9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
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4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
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CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate (CID 10563828) is 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate is CN(N)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate?
The InChIKey is XMDBCHVNHJBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(17)16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10,17H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate?
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate has a molecular weight of 268.32 g/mol, XLogP of 2.74, 2 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-amino-N-methylcarbamate is sourced from PubChem (CID 10563828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).