N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

C34H36N2 — CID 101348393

IUPACN-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(CNc2ccc3c(c2-c2c(NCc4ccccc4)ccc4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C34H36N2/c1-3-11-25(12-4-1)23-35-31-21-19-27-15-7-9-17-29(27)33(31)34-30-18-10-8-16-28(30)20-22-32(34)36-24-26-13-5-2-6-14-26/h1-6,11-14,19-22,35-36H,7-10,15-18,23-24H2
InChIKeyFGUHJPTXBPHSJE-UHFFFAOYSA-N
MW472.68 g/mol
LogP8.34
Rot. Bonds7

About N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 101348393) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID101348393
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC NameN-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(CNc2ccc3c(c2-c2c(NCc4ccccc4)ccc4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C34H36N2/c1-3-11-25(12-4-1)23-35-31-21-19-27-15-7-9-17-29(27)33(31)34-30-18-10-8-16-28(30)20-22-32(34)36-24-26-13-5-2-6-14-26/h1-6,11-14,19-22,35-36H,7-10,15-18,23-24H2
InChIKeyFGUHJPTXBPHSJE-UHFFFAOYSA-N
XLogP8.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 101348393) is N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is c1ccc(CNc2ccc3c(c2-c2c(NCc4ccccc4)ccc4c2CCCC4)CCCC3)cc1.
What is the InChIKey of N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is FGUHJPTXBPHSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2/c1-3-11-25(12-4-1)23-35-31-21-19-27-15-7-9-17-29(27)33(31)34-30-18-10-8-16-28(30)20-22-32(34)36-24-26-13-5-2-6-14-26/h1-6,11-14,19-22,35-36H,7-10,15-18,23-24H2.
What are the key properties of N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 472.68 g/mol, XLogP of 8.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 101348393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).