5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine

C29H44N2 — CID 118000276

IUPAC5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
SMILESCc1ccc2c(c1)C(CCCCCN(C)C)(CCCCCN(C)C)c1cc(C)ccc1-2
InChIInChI=1S/C29H44N2/c1-23-13-15-25-26-16-14-24(2)22-28(26)29(27(25)21-23,17-9-7-11-19-30(3)4)18-10-8-12-20-31(5)6/h13-16,21-22H,7-12,17-20H2,1-6H3
InChIKeyBOSHYOPARNZJBY-UHFFFAOYSA-N
MW420.69 g/mol
LogP6.81
Rot. Bonds12

About 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine

5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine (PubChem CID 118000276) has the molecular formula C29H44N2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
PubChem CID118000276
Molecular FormulaC29H44N2
Molecular Weight420.69 g/mol
Exact Mass420.35
IUPAC Name5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
SMILESCc1ccc2c(c1)C(CCCCCN(C)C)(CCCCCN(C)C)c1cc(C)ccc1-2
InChIInChI=1S/C29H44N2/c1-23-13-15-25-26-16-14-24(2)22-28(26)29(27(25)21-23,17-9-7-11-19-30(3)4)18-10-8-12-20-31(5)6/h13-16,21-22H,7-12,17-20H2,1-6H3
InChIKeyBOSHYOPARNZJBY-UHFFFAOYSA-N
XLogP6.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane
CID 144837119
N'-[5-[9-[5-[bis[3-(dimethylamino)propyl]amino]pentyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluoren-9-yl]pentyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 121289267
CID 173488082
CID 173488082
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
CID 58151394
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
2-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-ditert-butylfluoren-9-yl]hexyl-(2-hydroxyethyl)amino]ethanol
CID 134387222
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961

Frequently Asked Questions

What is the IUPAC name of 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine (CID 118000276) is 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine is Cc1ccc2c(c1)C(CCCCCN(C)C)(CCCCCN(C)C)c1cc(C)ccc1-2.
What is the InChIKey of 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine?
The InChIKey is BOSHYOPARNZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2/c1-23-13-15-25-26-16-14-24(2)22-28(26)29(27(25)21-23,17-9-7-11-19-30(3)4)18-10-8-12-20-31(5)6/h13-16,21-22H,7-12,17-20H2,1-6H3.
What are the key properties of 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine?
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine has a molecular weight of 420.69 g/mol, XLogP of 6.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 118000276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).