N,N-dimethylethanamine;9,9'-spirobi[fluorene]

C29H27N — CID 165010246

IUPACN,N-dimethylethanamine;9,9'-spirobi[fluorene]
SMILESCCN(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C4H11N/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-5(2)3/h1-16H;4H2,1-3H3
InChIKeyJPBDSUKXKNGTRE-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.60
Rot. Bonds1

About N,N-dimethylethanamine;9,9'-spirobi[fluorene]

N,N-dimethylethanamine;9,9'-spirobi[fluorene] (PubChem CID 165010246) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is N,N-dimethylethanamine;9,9'-spirobi[fluorene].

Molecular Properties

Compound NameN,N-dimethylethanamine;9,9'-spirobi[fluorene]
PubChem CID165010246
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC NameN,N-dimethylethanamine;9,9'-spirobi[fluorene]
SMILESCCN(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C4H11N/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-5(2)3/h1-16H;4H2,1-3H3
InChIKeyJPBDSUKXKNGTRE-UHFFFAOYSA-N
XLogP6.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
9,9-diphenylfluorene;propane
CID 158205050
N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
10-ethylspiro[acridine-9,9'-fluorene]
CID 118231831
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
CID 122543080
9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;9,9'-spirobi[fluorene]?
The IUPAC name of N,N-dimethylethanamine;9,9'-spirobi[fluorene] (CID 165010246) is N,N-dimethylethanamine;9,9'-spirobi[fluorene].
What is the SMILES notation for N,N-dimethylethanamine;9,9'-spirobi[fluorene]?
The canonical SMILES for N,N-dimethylethanamine;9,9'-spirobi[fluorene] is CCN(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N,N-dimethylethanamine;9,9'-spirobi[fluorene]?
The InChIKey is JPBDSUKXKNGTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C4H11N/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-5(2)3/h1-16H;4H2,1-3H3.
What are the key properties of N,N-dimethylethanamine;9,9'-spirobi[fluorene]?
N,N-dimethylethanamine;9,9'-spirobi[fluorene] has a molecular weight of 389.54 g/mol, XLogP of 6.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;9,9'-spirobi[fluorene] is sourced from PubChem (CID 165010246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).