3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine

C29H41N — CID 155595920

IUPAC3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
SMILESCc1cc2c(cc1Nc1ccc3c(c1)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H41N/c1-19-16-22-24(29(8,9)15-14-27(22,4)5)18-25(19)30-20-10-11-21-23(17-20)28(6,7)13-12-26(21,2)3/h10-11,16-18,30H,12-15H2,1-9H3
InChIKeyBUQJKNMFSCQMAV-UHFFFAOYSA-N
MW403.65 g/mol
LogP8.44
Rot. Bonds2

About 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine

3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine (PubChem CID 155595920) has the molecular formula C29H41N and a molecular weight of 403.65 g/mol. Its IUPAC name is 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
PubChem CID155595920
Molecular FormulaC29H41N
Molecular Weight403.65 g/mol
Exact Mass403.32
IUPAC Name3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
SMILESCc1cc2c(cc1Nc1ccc3c(c1)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H41N/c1-19-16-22-24(29(8,9)15-14-27(22,4)5)18-25(19)30-20-10-11-21-23(17-20)28(6,7)13-12-26(21,2)3/h10-11,16-18,30H,12-15H2,1-9H3
InChIKeyBUQJKNMFSCQMAV-UHFFFAOYSA-N
XLogP8.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine (CID 155595920) is 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine is Cc1cc2c(cc1Nc1ccc3c(c1)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The InChIKey is BUQJKNMFSCQMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N/c1-19-16-22-24(29(8,9)15-14-27(22,4)5)18-25(19)30-20-10-11-21-23(17-20)28(6,7)13-12-26(21,2)3/h10-11,16-18,30H,12-15H2,1-9H3.
What are the key properties of 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 403.65 g/mol, XLogP of 8.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 155595920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).