3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine

C23H30Br2N2 — CID 71721491

IUPAC3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(CCCN(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C23H30Br2N2/c1-26(2)13-5-11-23(12-6-14-27(3)4)21-15-17(24)7-9-19(21)20-10-8-18(25)16-22(20)23/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyRJIWYGUYDXBQCJ-UHFFFAOYSA-N
MW494.32 g/mol
LogP6.16
Rot. Bonds8

About 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine

3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine (PubChem CID 71721491) has the molecular formula C23H30Br2N2 and a molecular weight of 494.32 g/mol. Its IUPAC name is 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine
PubChem CID71721491
Molecular FormulaC23H30Br2N2
Molecular Weight494.32 g/mol
Exact Mass492.08
IUPAC Name3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(CCCN(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C23H30Br2N2/c1-26(2)13-5-11-23(12-6-14-27(3)4)21-15-17(24)7-9-19(21)20-10-8-18(25)16-22(20)23/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyRJIWYGUYDXBQCJ-UHFFFAOYSA-N
XLogP6.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.32
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine (CID 71721491) is 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(CCCN(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is RJIWYGUYDXBQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Br2N2/c1-26(2)13-5-11-23(12-6-14-27(3)4)21-15-17(24)7-9-19(21)20-10-8-18(25)16-22(20)23/h7-10,15-16H,5-6,11-14H2,1-4H3.
What are the key properties of 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine?
3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 494.32 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 71721491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).