3,5-bis[4-(diethylamino)butoxy]fluoren-9-one

C29H42N2O3 — CID 19594755

IUPAC3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
SMILESCCN(CC)CCCCOc1ccc2c(c1)-c1c(OCCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C29H42N2O3/c1-5-30(6-2)18-9-11-20-33-23-16-17-24-26(22-23)28-25(29(24)32)14-13-15-27(28)34-21-12-10-19-31(7-3)8-4/h13-17,22H,5-12,18-21H2,1-4H3
InChIKeyNABVQBKTCMTWQK-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.90
Rot. Bonds16

About 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one

3,5-bis[4-(diethylamino)butoxy]fluoren-9-one (PubChem CID 19594755) has the molecular formula C29H42N2O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one.

Molecular Properties

Compound Name3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
PubChem CID19594755
Molecular FormulaC29H42N2O3
Molecular Weight466.67 g/mol
Exact Mass466.32
IUPAC Name3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
SMILESCCN(CC)CCCCOc1ccc2c(c1)-c1c(OCCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C29H42N2O3/c1-5-30(6-2)18-9-11-20-33-23-16-17-24-26(22-23)28-25(29(24)32)14-13-15-27(28)34-21-12-10-19-31(7-3)8-4/h13-17,22H,5-12,18-21H2,1-4H3
InChIKeyNABVQBKTCMTWQK-UHFFFAOYSA-N
XLogP5.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
CID 19594830
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
6-[4-(diethylamino)butoxy]-2,3-dihydrochromen-4-one
CID 141195358
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one?
The IUPAC name of 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one (CID 19594755) is 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one.
What is the SMILES notation for 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one?
The canonical SMILES for 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one is CCN(CC)CCCCOc1ccc2c(c1)-c1c(OCCCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one?
The InChIKey is NABVQBKTCMTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O3/c1-5-30(6-2)18-9-11-20-33-23-16-17-24-26(22-23)28-25(29(24)32)14-13-15-27(28)34-21-12-10-19-31(7-3)8-4/h13-17,22H,5-12,18-21H2,1-4H3.
What are the key properties of 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one?
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one has a molecular weight of 466.67 g/mol, XLogP of 5.90, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(diethylamino)butoxy]fluoren-9-one is sourced from PubChem (CID 19594755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).