6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid

C26H38N2O2 — CID 142707496

IUPAC6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCCCN1CCCC1)CCc1cccc2ccccc12
InChIInChI=1S/C26H38N2O2/c29-26(30)15-2-1-5-17-28(21-9-8-20-27-18-6-7-19-27)22-16-24-13-10-12-23-11-3-4-14-25(23)24/h3-4,10-14H,1-2,5-9,15-22H2,(H,29,30)
InChIKeyYBIUOTDLOFYMMU-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.21
Rot. Bonds14

About 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid

6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid (PubChem CID 142707496) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
PubChem CID142707496
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCCCN1CCCC1)CCc1cccc2ccccc12
InChIInChI=1S/C26H38N2O2/c29-26(30)15-2-1-5-17-28(21-9-8-20-27-18-6-7-19-27)22-16-24-13-10-12-23-11-3-4-14-25(23)24/h3-4,10-14H,1-2,5-9,15-22H2,(H,29,30)
InChIKeyYBIUOTDLOFYMMU-UHFFFAOYSA-N
XLogP5.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-methylpiperidin-1-yl)propyl-(2-naphthalen-1-ylethyl)amino]hexanoic acid
CID 142707473
6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707525
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329905
2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid
CID 3052207
6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707528
methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate
CID 142707466
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
6-(aziridin-1-yl)hexanoic acid
CID 141385441
6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide
CID 57345232
6-[2-[5-carboxypentyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]hexanoic acid
CID 145180691

Frequently Asked Questions

What is the IUPAC name of 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid?
The IUPAC name of 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid (CID 142707496) is 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid.
What is the SMILES notation for 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid?
The canonical SMILES for 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid is O=C(O)CCCCCN(CCCCN1CCCC1)CCc1cccc2ccccc12.
What is the InChIKey of 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid?
The InChIKey is YBIUOTDLOFYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c29-26(30)15-2-1-5-17-28(21-9-8-20-27-18-6-7-19-27)22-16-24-13-10-12-23-11-3-4-14-25(23)24/h3-4,10-14H,1-2,5-9,15-22H2,(H,29,30).
What are the key properties of 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid?
6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid has a molecular weight of 410.60 g/mol, XLogP of 5.21, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid is sourced from PubChem (CID 142707496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).