2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C25H29N — CID 101016261

IUPAC2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1C=CC(C(C)(C)C2c3ccccc3-c3ccccc32)=C1
InChIInChI=1S/C25H29N/c1-25(2,19-14-13-18(17-19)15-16-26(3)4)24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-14,17-18,24H,15-16H2,1-4H3
InChIKeySUDKIAHELVIISL-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.89
Rot. Bonds5

About 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 101016261) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID101016261
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1C=CC(C(C)(C)C2c3ccccc3-c3ccccc32)=C1
InChIInChI=1S/C25H29N/c1-25(2,19-14-13-18(17-19)15-16-26(3)4)24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-14,17-18,24H,15-16H2,1-4H3
InChIKeySUDKIAHELVIISL-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
CID 11112856
CID 11112856
2-(2,3-dimethyl-6H-indol-6-yl)-N,N-dimethylethanamine
CID 154118378
N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 45049608
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
CID 10641
9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 101084307
9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
1-[2-(9H-fluoren-9-yl)phenyl]-N,N-dimethylmethanamine
CID 14710159
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
6-tert-butylbenzo[b][1,4]benzoxazepine;9-tert-butyl-9H-fluorene
CID 158099980

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 101016261) is 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is CN(C)CCC1C=CC(C(C)(C)C2c3ccccc3-c3ccccc32)=C1.
What is the InChIKey of 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is SUDKIAHELVIISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-25(2,19-14-13-18(17-19)15-16-26(3)4)24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-14,17-18,24H,15-16H2,1-4H3.
What are the key properties of 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 343.51 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 101016261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).