N-(9H-fluoren-9-yl)-2-methylpropan-1-imine

C17H17N — CID 12754299

IUPACN-(9H-fluoren-9-yl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17N/c1-12(2)11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-12,17H,1-2H3/b18-11+
InChIKeyNYNHRFGBOCIHMY-WOJGMQOQSA-N
MW235.33 g/mol
LogP4.48
Rot. Bonds2

About N-(9H-fluoren-9-yl)-2-methylpropan-1-imine

N-(9H-fluoren-9-yl)-2-methylpropan-1-imine (PubChem CID 12754299) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-2-methylpropan-1-imine
PubChem CID12754299
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-(9H-fluoren-9-yl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17N/c1-12(2)11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-12,17H,1-2H3/b18-11+
InChIKeyNYNHRFGBOCIHMY-WOJGMQOQSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-2-methylpropan-1-imine?
The IUPAC name of N-(9H-fluoren-9-yl)-2-methylpropan-1-imine (CID 12754299) is N-(9H-fluoren-9-yl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(9H-fluoren-9-yl)-2-methylpropan-1-imine?
The canonical SMILES for N-(9H-fluoren-9-yl)-2-methylpropan-1-imine is CC(C)/C=N/C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(9H-fluoren-9-yl)-2-methylpropan-1-imine?
The InChIKey is NYNHRFGBOCIHMY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N/c1-12(2)11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-12,17H,1-2H3/b18-11+.
What are the key properties of N-(9H-fluoren-9-yl)-2-methylpropan-1-imine?
N-(9H-fluoren-9-yl)-2-methylpropan-1-imine has a molecular weight of 235.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 12754299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).