N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine

C238H328N8 — CID 162017563

IUPACN-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)-c1cc(CN(CC)CC)ccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(CN(CC)CC)cccc21.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/2C35H38N2.4C30H27N.24C2H6/c1-5-36(6-2)23-25-15-13-21-31-33(25)27-17-9-11-19-29(27)35(31)30-20-12-10-18-28(30)34-26(16-14-22-32(34)35)24-37(7-3)8-4;1-5-36(6-2)23-25-17-19-33-29(21-25)30-22-26(24-37(7-3)8-4)18-20-34(30)35(33)31-15-11-9-13-27(31)28-14-10-12-16-32(28)35;1-3-31(4-2)20-21-12-11-16-25-24-15-7-10-19-28(24)30(29(21)25)26-17-8-5-13-22(26)23-14-6-9-18-27(23)30;1-3-31(4-2)20-21-12-11-19-28-29(21)24-15-7-10-18-27(24)30(28)25-16-8-5-13-22(25)23-14-6-9-17-26(23)30;1-3-31(4-2)20-21-17-18-29-25(19-21)24-13-7-10-16-28(24)30(29)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;1-3-31(4-2)20-21-17-18-25-24-13-7-10-16-28(24)30(29(25)19-21)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;24*1-2/h2*9-22H,5-8,23-24H2,1-4H3;4*5-19H,3-4,20H2,1-2H3;24*1-2H3
InChIKeyYUHVCXDPQSRLLX-UHFFFAOYSA-N
MW3301.30 g/mol
LogP67.54
Rot. Bonds32

About N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine

N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine (PubChem CID 162017563) has the molecular formula C238H328N8 and a molecular weight of 3301.30 g/mol. Its IUPAC name is N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine
PubChem CID162017563
Molecular FormulaC238H328N8
Molecular Weight3301.30 g/mol
Exact Mass3298.59
IUPAC NameN-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)-c1cc(CN(CC)CC)ccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(CN(CC)CC)cccc21.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/2C35H38N2.4C30H27N.24C2H6/c1-5-36(6-2)23-25-15-13-21-31-33(25)27-17-9-11-19-29(27)35(31)30-20-12-10-18-28(30)34-26(16-14-22-32(34)35)24-37(7-3)8-4;1-5-36(6-2)23-25-17-19-33-29(21-25)30-22-26(24-37(7-3)8-4)18-20-34(30)35(33)31-15-11-9-13-27(31)28-14-10-12-16-32(28)35;1-3-31(4-2)20-21-12-11-16-25-24-15-7-10-19-28(24)30(29(21)25)26-17-8-5-13-22(26)23-14-6-9-18-27(23)30;1-3-31(4-2)20-21-12-11-19-28-29(21)24-15-7-10-18-27(24)30(28)25-16-8-5-13-22(25)23-14-6-9-17-26(23)30;1-3-31(4-2)20-21-17-18-29-25(19-21)24-13-7-10-16-28(24)30(29)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;1-3-31(4-2)20-21-17-18-25-24-13-7-10-16-28(24)30(29(25)19-21)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;24*1-2/h2*9-22H,5-8,23-24H2,1-4H3;4*5-19H,3-4,20H2,1-2H3;24*1-2H3
InChIKeyYUHVCXDPQSRLLX-UHFFFAOYSA-N
XLogP67.54
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms246
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003301.30
LogP ≤ 567.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine?
The IUPAC name of N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine (CID 162017563) is N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine.
What is the SMILES notation for N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine?
The canonical SMILES for N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)-c1cc(CN(CC)CC)ccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(CN(CC)CC)cccc21.CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CCN(CC)Cc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine?
The InChIKey is YUHVCXDPQSRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H38N2.4C30H27N.24C2H6/c1-5-36(6-2)23-25-15-13-21-31-33(25)27-17-9-11-19-29(27)35(31)30-20-12-10-18-28(30)34-26(16-14-22-32(34)35)24-37(7-3)8-4;1-5-36(6-2)23-25-17-19-33-29(21-25)30-22-26(24-37(7-3)8-4)18-20-34(30)35(33)31-15-11-9-13-27(31)28-14-10-12-16-32(28)35;1-3-31(4-2)20-21-12-11-16-25-24-15-7-10-19-28(24)30(29(21)25)26-17-8-5-13-22(26)23-14-6-9-18-27(23)30;1-3-31(4-2)20-21-12-11-19-28-29(21)24-15-7-10-18-27(24)30(28)25-16-8-5-13-22(25)23-14-6-9-17-26(23)30;1-3-31(4-2)20-21-17-18-29-25(19-21)24-13-7-10-16-28(24)30(29)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;1-3-31(4-2)20-21-17-18-25-24-13-7-10-16-28(24)30(29(25)19-21)26-14-8-5-11-22(26)23-12-6-9-15-27(23)30;24*1-2/h2*9-22H,5-8,23-24H2,1-4H3;4*5-19H,3-4,20H2,1-2H3;24*1-2H3.
What are the key properties of N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine?
N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine has a molecular weight of 3301.30 g/mol, XLogP of 67.54, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine is sourced from PubChem (CID 162017563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).