azane;1,1'-biphenyl;butane

C16H23N — CID 155168826

IUPACazane;1,1'-biphenyl;butane
SMILESCCCC.N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10.H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-4-2;/h1-10H;3-4H2,1-2H3;1H3
InChIKeyRYBPKUSPZZYMJI-UHFFFAOYSA-N
MW229.37 g/mol
LogP5.32
Rot. Bonds2

About azane;1,1'-biphenyl;butane

azane;1,1'-biphenyl;butane (PubChem CID 155168826) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is azane;1,1'-biphenyl;butane.

Molecular Properties

Compound Nameazane;1,1'-biphenyl;butane
PubChem CID155168826
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Nameazane;1,1'-biphenyl;butane
SMILESCCCC.N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10.H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-4-2;/h1-10H;3-4H2,1-2H3;1H3
InChIKeyRYBPKUSPZZYMJI-UHFFFAOYSA-N
XLogP5.32
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;1,1'-biphenyl;butane?
The IUPAC name of azane;1,1'-biphenyl;butane (CID 155168826) is azane;1,1'-biphenyl;butane.
What is the SMILES notation for azane;1,1'-biphenyl;butane?
The canonical SMILES for azane;1,1'-biphenyl;butane is CCCC.N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of azane;1,1'-biphenyl;butane?
The InChIKey is RYBPKUSPZZYMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H10.H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-4-2;/h1-10H;3-4H2,1-2H3;1H3.
What are the key properties of azane;1,1'-biphenyl;butane?
azane;1,1'-biphenyl;butane has a molecular weight of 229.37 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1'-biphenyl;butane is sourced from PubChem (CID 155168826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).