1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine

C32H53N — CID 21316064

IUPAC1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(N)c1c(CC)c(CC)cc2ccccc12
InChIInChI=1S/C32H53N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31(33)32-29(6-3)27(5-2)26-28-23-21-22-24-30(28)32/h21-24,26,31H,4-20,25,33H2,1-3H3
InChIKeyVDWUGVFZLORAOH-UHFFFAOYSA-N
MW451.78 g/mol
LogP10.23
Rot. Bonds19

About 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine

1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine (PubChem CID 21316064) has the molecular formula C32H53N and a molecular weight of 451.78 g/mol. Its IUPAC name is 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine.

Molecular Properties

Compound Name1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
PubChem CID21316064
Molecular FormulaC32H53N
Molecular Weight451.78 g/mol
Exact Mass451.42
IUPAC Name1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(N)c1c(CC)c(CC)cc2ccccc12
InChIInChI=1S/C32H53N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31(33)32-29(6-3)27(5-2)26-28-23-21-22-24-30(28)32/h21-24,26,31H,4-20,25,33H2,1-3H3
InChIKeyVDWUGVFZLORAOH-UHFFFAOYSA-N
XLogP10.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diethylnaphthalen-1-yl)octan-1-amine;hydrate
CID 173447879
1-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
CID 174059306
1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
CID 174059373
2-(2,3-diethylnaphthalen-1-yl)propanedioic acid
CID 67760170
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(2,3-diethylphenyl)tetradecan-1-amine
CID 22761428
1-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
CID 173450788
1-(1-iodononyl)-2,3-dimethylnaphthalene
CID 20554947

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine?
The IUPAC name of 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine (CID 21316064) is 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine.
What is the SMILES notation for 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine?
The canonical SMILES for 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine is CCCCCCCCCCCCCCCCCC(N)c1c(CC)c(CC)cc2ccccc12.
What is the InChIKey of 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine?
The InChIKey is VDWUGVFZLORAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31(33)32-29(6-3)27(5-2)26-28-23-21-22-24-30(28)32/h21-24,26,31H,4-20,25,33H2,1-3H3.
What are the key properties of 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine?
1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine has a molecular weight of 451.78 g/mol, XLogP of 10.23, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine is sourced from PubChem (CID 21316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).