N-pyren-1-ylmethanimine

C17H11N — CID 175327459

IUPACN-pyren-1-ylmethanimine
SMILESC=Nc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H11N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H2
InChIKeyMWAJEXAEOVZRDD-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.92
Rot. Bonds1

About N-pyren-1-ylmethanimine

N-pyren-1-ylmethanimine (PubChem CID 175327459) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is N-pyren-1-ylmethanimine.

Molecular Properties

Compound NameN-pyren-1-ylmethanimine
PubChem CID175327459
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC NameN-pyren-1-ylmethanimine
SMILESC=Nc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H11N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H2
InChIKeyMWAJEXAEOVZRDD-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyren-1-ylmethanimine?
The IUPAC name of N-pyren-1-ylmethanimine (CID 175327459) is N-pyren-1-ylmethanimine.
What is the SMILES notation for N-pyren-1-ylmethanimine?
The canonical SMILES for N-pyren-1-ylmethanimine is C=Nc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-pyren-1-ylmethanimine?
The InChIKey is MWAJEXAEOVZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H2.
What are the key properties of N-pyren-1-ylmethanimine?
N-pyren-1-ylmethanimine has a molecular weight of 229.28 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyren-1-ylmethanimine is sourced from PubChem (CID 175327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).