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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Related Compounds

trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
2-[9,10-dioxo-6-(2-sulfoethoxy)anthracen-2-yl]oxyethanesulfonic acid
CID 142419389
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
7-(3-aminopropoxy)-3,4-dihydro-2H-isoquinolin-1-one
CID 83853149
3-(9,10-dioxoanthracen-2-yl)oxypropyl-triphenylphosphanium
CID 59248407
2-octadecoxytetracene-5,12-dione
CID 19812763
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 22315906
2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
CID 6420971
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809

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).