3,6-bis(3-aminopropoxy)fluoren-9-one

C19H22N2O3 — CID 57439340

IUPAC3,6-bis(3-aminopropoxy)fluoren-9-one
SMILESNCCCOc1ccc2c(c1)-c1cc(OCCCN)ccc1C2=O
InChIInChI=1S/C19H22N2O3/c20-7-1-9-23-13-3-5-15-17(11-13)18-12-14(24-10-2-8-21)4-6-16(18)19(15)22/h3-6,11-12H,1-2,7-10,20-21H2
InChIKeyAAPJRCABTZJACM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.35
Rot. Bonds8

About 3,6-bis(3-aminopropoxy)fluoren-9-one

3,6-bis(3-aminopropoxy)fluoren-9-one (PubChem CID 57439340) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,6-bis(3-aminopropoxy)fluoren-9-one.

Molecular Properties

Compound Name3,6-bis(3-aminopropoxy)fluoren-9-one
PubChem CID57439340
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3,6-bis(3-aminopropoxy)fluoren-9-one
SMILESNCCCOc1ccc2c(c1)-c1cc(OCCCN)ccc1C2=O
InChIInChI=1S/C19H22N2O3/c20-7-1-9-23-13-3-5-15-17(11-13)18-12-14(24-10-2-8-21)4-6-16(18)19(15)22/h3-6,11-12H,1-2,7-10,20-21H2
InChIKeyAAPJRCABTZJACM-UHFFFAOYSA-N
XLogP2.35
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-aminopropoxy)fluoren-9-one?
The IUPAC name of 3,6-bis(3-aminopropoxy)fluoren-9-one (CID 57439340) is 3,6-bis(3-aminopropoxy)fluoren-9-one.
What is the SMILES notation for 3,6-bis(3-aminopropoxy)fluoren-9-one?
The canonical SMILES for 3,6-bis(3-aminopropoxy)fluoren-9-one is NCCCOc1ccc2c(c1)-c1cc(OCCCN)ccc1C2=O.
What is the InChIKey of 3,6-bis(3-aminopropoxy)fluoren-9-one?
The InChIKey is AAPJRCABTZJACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-7-1-9-23-13-3-5-15-17(11-13)18-12-14(24-10-2-8-21)4-6-16(18)19(15)22/h3-6,11-12H,1-2,7-10,20-21H2.
What are the key properties of 3,6-bis(3-aminopropoxy)fluoren-9-one?
3,6-bis(3-aminopropoxy)fluoren-9-one has a molecular weight of 326.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-aminopropoxy)fluoren-9-one is sourced from PubChem (CID 57439340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).