9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate

C19H22N2O2 — CID 71291392

IUPAC9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
SMILESCC(C)CNNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-13(2)11-20-21-19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyIROJPMDSSMWDCF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate

9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate (PubChem CID 71291392) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
PubChem CID71291392
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
SMILESCC(C)CNNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-13(2)11-20-21-19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyIROJPMDSSMWDCF-UHFFFAOYSA-N
XLogP3.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 143718810
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate (CID 71291392) is 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate is CC(C)CNNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate?
The InChIKey is IROJPMDSSMWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)11-20-21-19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate?
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 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-(2-methylpropylamino)carbamate is sourced from PubChem (CID 71291392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).