azane;propane;pyrene

C19H21N — CID 87370632

IUPACazane;propane;pyrene
SMILESCCC.N.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C3H8.H3N/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-2;/h1-10H;3H2,1-2H3;1H3
InChIKeyBYFYIKOGPZHEBQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP6.16
Rot. Bonds

About azane;propane;pyrene

azane;propane;pyrene (PubChem CID 87370632) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is azane;propane;pyrene.

Molecular Properties

Compound Nameazane;propane;pyrene
PubChem CID87370632
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Nameazane;propane;pyrene
SMILESCCC.N.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C3H8.H3N/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-2;/h1-10H;3H2,1-2H3;1H3
InChIKeyBYFYIKOGPZHEBQ-UHFFFAOYSA-N
XLogP6.16
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;propane;pyrene?
The IUPAC name of azane;propane;pyrene (CID 87370632) is azane;propane;pyrene.
What is the SMILES notation for azane;propane;pyrene?
The canonical SMILES for azane;propane;pyrene is CCC.N.c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of azane;propane;pyrene?
The InChIKey is BYFYIKOGPZHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C3H8.H3N/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-2;/h1-10H;3H2,1-2H3;1H3.
What are the key properties of azane;propane;pyrene?
azane;propane;pyrene has a molecular weight of 263.38 g/mol, XLogP of 6.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propane;pyrene is sourced from PubChem (CID 87370632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).