2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine

C36H33N — CID 129196216

IUPAC2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
SMILESc1ccc2c(CCN(CCc3cccc4ccccc34)CCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H33N/c1-4-19-34-28(10-1)13-7-16-31(34)22-25-37(26-23-32-17-8-14-29-11-2-5-20-35(29)32)27-24-33-18-9-15-30-12-3-6-21-36(30)33/h1-21H,22-27H2
InChIKeyHEEIOYPCAVSTKZ-UHFFFAOYSA-N
MW479.67 g/mol
LogP8.48
Rot. Bonds9

About 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine

2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine (PubChem CID 129196216) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
PubChem CID129196216
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC Name2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
SMILESc1ccc2c(CCN(CCc3cccc4ccccc34)CCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H33N/c1-4-19-34-28(10-1)13-7-16-31(34)22-25-37(26-23-32-17-8-14-29-11-2-5-20-35(29)32)27-24-33-18-9-15-30-12-3-6-21-36(30)33/h1-21H,22-27H2
InChIKeyHEEIOYPCAVSTKZ-UHFFFAOYSA-N
XLogP8.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
ethane;2-naphthalen-1-ylethanol
CID 145119048
1-butylnaphthalene;ethane
CID 142087052
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
CID 57419547
CID 57419547
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
methanamine;1-propylnaphthalene
CID 174438724
3-naphthalen-1-ylpropan-1-ol
CID 14711518
CID 66760372
CID 66760372

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine?
The IUPAC name of 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine (CID 129196216) is 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine.
What is the SMILES notation for 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine?
The canonical SMILES for 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine is c1ccc2c(CCN(CCc3cccc4ccccc34)CCc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine?
The InChIKey is HEEIOYPCAVSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N/c1-4-19-34-28(10-1)13-7-16-31(34)22-25-37(26-23-32-17-8-14-29-11-2-5-20-35(29)32)27-24-33-18-9-15-30-12-3-6-21-36(30)33/h1-21H,22-27H2.
What are the key properties of 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine?
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine has a molecular weight of 479.67 g/mol, XLogP of 8.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine is sourced from PubChem (CID 129196216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).