ethane;N-propan-2-ylfluoren-9-imine

C20H27N — CID 157220369

IUPACethane;N-propan-2-ylfluoren-9-imine
SMILESCC.CC.CC(C)N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15N.2C2H6/c1-11(2)17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyASXKSFQGXFXDDQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.97
Rot. Bonds1

About ethane;N-propan-2-ylfluoren-9-imine

ethane;N-propan-2-ylfluoren-9-imine (PubChem CID 157220369) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;N-propan-2-ylfluoren-9-imine.

Molecular Properties

Compound Nameethane;N-propan-2-ylfluoren-9-imine
PubChem CID157220369
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Nameethane;N-propan-2-ylfluoren-9-imine
SMILESCC.CC.CC(C)N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15N.2C2H6/c1-11(2)17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyASXKSFQGXFXDDQ-UHFFFAOYSA-N
XLogP5.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.97
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 ethane;N-propan-2-ylfluoren-9-imine?
The IUPAC name of ethane;N-propan-2-ylfluoren-9-imine (CID 157220369) is ethane;N-propan-2-ylfluoren-9-imine.
What is the SMILES notation for ethane;N-propan-2-ylfluoren-9-imine?
The canonical SMILES for ethane;N-propan-2-ylfluoren-9-imine is CC.CC.CC(C)N=C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;N-propan-2-ylfluoren-9-imine?
The InChIKey is ASXKSFQGXFXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.2C2H6/c1-11(2)17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2/h3-11H,1-2H3;2*1-2H3.
What are the key properties of ethane;N-propan-2-ylfluoren-9-imine?
ethane;N-propan-2-ylfluoren-9-imine has a molecular weight of 281.44 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propan-2-ylfluoren-9-imine is sourced from PubChem (CID 157220369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).