9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate

C22H26N2O2 — CID 59032300

IUPAC9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate
SMILESCCCC/C(CC)=N\NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-3-5-10-16(4-2)23-24-22(25)26-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,21H,3-5,10,15H2,1-2H3,(H,24,25)/b23-16-
InChIKeyGFUSUGCULHYAMV-KQWNVCNZSA-N
MW350.46 g/mol
LogP5.48
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate

9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate (PubChem CID 59032300) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate
PubChem CID59032300
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate
SMILESCCCC/C(CC)=N\NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-3-5-10-16(4-2)23-24-22(25)26-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,21H,3-5,10,15H2,1-2H3,(H,24,25)/b23-16-
InChIKeyGFUSUGCULHYAMV-KQWNVCNZSA-N
XLogP5.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 103663910

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate (CID 59032300) is 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate is CCCC/C(CC)=N\NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate?
The InChIKey is GFUSUGCULHYAMV-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-5-10-16(4-2)23-24-22(25)26-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,21H,3-5,10,15H2,1-2H3,(H,24,25)/b23-16-.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate?
9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate has a molecular weight of 350.46 g/mol, XLogP of 5.48, 7 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-[(Z)-heptan-3-ylideneamino]carbamate is sourced from PubChem (CID 59032300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).