pyren-1-amine

C16H11N — CID 15352

IUPACpyren-1-amine
SMILESNc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKeyYZVWKHVRBDQPMQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.17
Rot. Bonds

About pyren-1-amine

pyren-1-amine (PubChem CID 15352) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is pyren-1-amine.

Molecular Properties

Compound Namepyren-1-amine
PubChem CID15352
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namepyren-1-amine
SMILESNc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKeyYZVWKHVRBDQPMQ-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pyren-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

Related Compounds

pyren-1-amine;pyrene-1,3-diamine;pyrene-1,6-diamine;pyrene-1,8-diamine
CID 175402648
5-methylpyren-1-amine
CID 23131220
1,8-di(pyren-1-yl)pyrene
CID 58915622
1-N-pyren-1-ylpyrene-1,4-diamine
CID 91280609
6-aminopyrene-2-carbonitrile
CID 23131452
naphthalene-1,6-diamine;naphthalene-1,8-diamine
CID 158469220
6-aminopyrene-1-carbonitrile
CID 23131487
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
S-pyren-1-ylthiohydroxylamine
CID 143295411
1,8-dimethoxynaphthalen-2-amine
CID 115022882
1-(6-aminopyren-1-yl)ethanone
CID 71370113

Frequently Asked Questions

What is the IUPAC name of pyren-1-amine?
The IUPAC name of pyren-1-amine (CID 15352) is pyren-1-amine.
What is the SMILES notation for pyren-1-amine?
The canonical SMILES for pyren-1-amine is Nc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of pyren-1-amine?
The InChIKey is YZVWKHVRBDQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2.
What are the key properties of pyren-1-amine?
pyren-1-amine has a molecular weight of 217.27 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyren-1-amine is sourced from PubChem (CID 15352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).