N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine

C28H37N — CID 129278918

IUPACN-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine
SMILESCCCC(C)CC(C)CC(C)Cc1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C28H37N/c1-5-11-21(2)18-22(3)19-23(4)20-25-17-16-24-12-9-10-15-27(24)28(25)29-26-13-7-6-8-14-26/h6-10,12-17,21-23,29H,5,11,18-20H2,1-4H3
InChIKeyFRPZAFYFCUTTAG-UHFFFAOYSA-N
MW387.61 g/mol
LogP8.61
Rot. Bonds10

About N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine

N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine (PubChem CID 129278918) has the molecular formula C28H37N and a molecular weight of 387.61 g/mol. Its IUPAC name is N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine
PubChem CID129278918
Molecular FormulaC28H37N
Molecular Weight387.61 g/mol
Exact Mass387.29
IUPAC NameN-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine
SMILESCCCC(C)CC(C)CC(C)Cc1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C28H37N/c1-5-11-21(2)18-22(3)19-23(4)20-25-17-16-24-12-9-10-15-27(24)28(25)29-26-13-7-6-8-14-26/h6-10,12-17,21-23,29H,5,11,18-20H2,1-4H3
InChIKeyFRPZAFYFCUTTAG-UHFFFAOYSA-N
XLogP8.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine?
The IUPAC name of N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine (CID 129278918) is N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine.
What is the SMILES notation for N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine?
The canonical SMILES for N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine is CCCC(C)CC(C)CC(C)Cc1ccc2ccccc2c1Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine?
The InChIKey is FRPZAFYFCUTTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N/c1-5-11-21(2)18-22(3)19-23(4)20-25-17-16-24-12-9-10-15-27(24)28(25)29-26-13-7-6-8-14-26/h6-10,12-17,21-23,29H,5,11,18-20H2,1-4H3.
What are the key properties of N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine?
N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine has a molecular weight of 387.61 g/mol, XLogP of 8.61, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine is sourced from PubChem (CID 129278918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).