9H-fluoren-9-ylmethyl N-(methylamino)carbamate

C16H16N2O2 — CID 10516035

IUPAC9H-fluoren-9-ylmethyl N-(methylamino)carbamate
SMILESCNNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17-18-16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15,17H,10H2,1H3,(H,18,19)
InChIKeyWTNNKSSOVUZBKC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(methylamino)carbamate

9H-fluoren-9-ylmethyl N-(methylamino)carbamate (PubChem CID 10516035) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(methylamino)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(methylamino)carbamate
PubChem CID10516035
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name9H-fluoren-9-ylmethyl N-(methylamino)carbamate
SMILESCNNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17-18-16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15,17H,10H2,1H3,(H,18,19)
InChIKeyWTNNKSSOVUZBKC-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-(methylamino)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 143718810
CID 58624123
CID 58624123
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
CID 138478780
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
CID 67089528

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(methylamino)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(methylamino)carbamate (CID 10516035) is 9H-fluoren-9-ylmethyl N-(methylamino)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(methylamino)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(methylamino)carbamate is CNNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(methylamino)carbamate?
The InChIKey is WTNNKSSOVUZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-18-16(19)20-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15,17H,10H2,1H3,(H,18,19).
What are the key properties of 9H-fluoren-9-ylmethyl N-(methylamino)carbamate?
9H-fluoren-9-ylmethyl N-(methylamino)carbamate has a molecular weight of 268.32 g/mol, XLogP of 2.66, 3 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-(methylamino)carbamate is sourced from PubChem (CID 10516035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).