5-(pyren-1-ylmethoxy)pentan-1-amine

C22H23NO — CID 59847007

IUPAC5-(pyren-1-ylmethoxy)pentan-1-amine
SMILESNCCCCCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C22H23NO/c23-13-2-1-3-14-24-15-19-10-9-18-8-7-16-5-4-6-17-11-12-20(19)22(18)21(16)17/h4-12H,1-3,13-15,23H2
InChIKeyMLUHTAVYVIPQFT-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.23
Rot. Bonds7

About 5-(pyren-1-ylmethoxy)pentan-1-amine

5-(pyren-1-ylmethoxy)pentan-1-amine (PubChem CID 59847007) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-(pyren-1-ylmethoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(pyren-1-ylmethoxy)pentan-1-amine
PubChem CID59847007
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name5-(pyren-1-ylmethoxy)pentan-1-amine
SMILESNCCCCCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C22H23NO/c23-13-2-1-3-14-24-15-19-10-9-18-8-7-16-5-4-6-17-11-12-20(19)22(18)21(16)17/h4-12H,1-3,13-15,23H2
InChIKeyMLUHTAVYVIPQFT-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(pyren-1-ylmethoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(pyren-1-ylmethoxy)pentan-1-amine?
The IUPAC name of 5-(pyren-1-ylmethoxy)pentan-1-amine (CID 59847007) is 5-(pyren-1-ylmethoxy)pentan-1-amine.
What is the SMILES notation for 5-(pyren-1-ylmethoxy)pentan-1-amine?
The canonical SMILES for 5-(pyren-1-ylmethoxy)pentan-1-amine is NCCCCCOCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 5-(pyren-1-ylmethoxy)pentan-1-amine?
The InChIKey is MLUHTAVYVIPQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c23-13-2-1-3-14-24-15-19-10-9-18-8-7-16-5-4-6-17-11-12-20(19)22(18)21(16)17/h4-12H,1-3,13-15,23H2.
What are the key properties of 5-(pyren-1-ylmethoxy)pentan-1-amine?
5-(pyren-1-ylmethoxy)pentan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyren-1-ylmethoxy)pentan-1-amine is sourced from PubChem (CID 59847007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).