pyren-1-ylmethanamine;hydrochloride

C17H14ClN — CID 11601427

IUPACpyren-1-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H13N.ClH/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;/h1-9H,10,18H2;1H
InChIKeyRGNMXKKNDSHTFD-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.46
Rot. Bonds1

About pyren-1-ylmethanamine;hydrochloride

pyren-1-ylmethanamine;hydrochloride (PubChem CID 11601427) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is pyren-1-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namepyren-1-ylmethanamine;hydrochloride
PubChem CID11601427
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Namepyren-1-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H13N.ClH/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;/h1-9H,10,18H2;1H
InChIKeyRGNMXKKNDSHTFD-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pyren-1-ylmethanamine;hydrochloride 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 pyren-1-ylmethanamine;hydrochloride?
The IUPAC name of pyren-1-ylmethanamine;hydrochloride (CID 11601427) is pyren-1-ylmethanamine;hydrochloride.
What is the SMILES notation for pyren-1-ylmethanamine;hydrochloride?
The canonical SMILES for pyren-1-ylmethanamine;hydrochloride is Cl.NCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of pyren-1-ylmethanamine;hydrochloride?
The InChIKey is RGNMXKKNDSHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N.ClH/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;/h1-9H,10,18H2;1H.
What are the key properties of pyren-1-ylmethanamine;hydrochloride?
pyren-1-ylmethanamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyren-1-ylmethanamine;hydrochloride is sourced from PubChem (CID 11601427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).