5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one

C27H36N2O2 — CID 515308

IUPAC5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(C)C)ccc1-2
InChIInChI=1S/C27H36N2O2/c1-28(2)15-7-5-9-26(30)20-11-13-24-22(17-20)19-23-18-21(12-14-25(23)24)27(31)10-6-8-16-29(3)4/h11-14,17-18H,5-10,15-16,19H2,1-4H3
InChIKeyDZZNWQDCOZGSMJ-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.09
Rot. Bonds12

About 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one

5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one (PubChem CID 515308) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
PubChem CID515308
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(C)C)ccc1-2
InChIInChI=1S/C27H36N2O2/c1-28(2)15-7-5-9-26(30)20-11-13-24-22(17-20)19-23-18-21(12-14-25(23)24)27(31)10-6-8-16-29(3)4/h11-14,17-18H,5-10,15-16,19H2,1-4H3
InChIKeyDZZNWQDCOZGSMJ-UHFFFAOYSA-N
XLogP5.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(dimethylamino)butan-1-one
CID 12538037
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
CID 2801674
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
CID 170896197

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one?
The IUPAC name of 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one (CID 515308) is 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one.
What is the SMILES notation for 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one?
The canonical SMILES for 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one is CN(C)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(C)C)ccc1-2.
What is the InChIKey of 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one?
The InChIKey is DZZNWQDCOZGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-28(2)15-7-5-9-26(30)20-11-13-24-22(17-20)19-23-18-21(12-14-25(23)24)27(31)10-6-8-16-29(3)4/h11-14,17-18H,5-10,15-16,19H2,1-4H3.
What are the key properties of 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one?
5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one has a molecular weight of 420.60 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one is sourced from PubChem (CID 515308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).