4-phenylazocane

C13H19N — CID 19847318

IUPAC4-phenylazocane
SMILESc1ccc(C2CCCCNCC2)cc1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyGODXQIYIOSXEQG-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.93
Rot. Bonds1

About 4-phenylazocane

4-phenylazocane (PubChem CID 19847318) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-phenylazocane.

Molecular Properties

Compound Name4-phenylazocane
PubChem CID19847318
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-phenylazocane
SMILESc1ccc(C2CCCCNCC2)cc1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyGODXQIYIOSXEQG-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159076923
ethane;3-phenylpyrrolidine
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4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
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4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
N-(4-phenylcyclohexyl)azepan-4-amine
CID 103981014
1,1'-biphenyl;cyclohexylbenzene
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4-(3-phenylphenyl)piperidine
CID 54258001

Frequently Asked Questions

What is the IUPAC name of 4-phenylazocane?
The IUPAC name of 4-phenylazocane (CID 19847318) is 4-phenylazocane.
What is the SMILES notation for 4-phenylazocane?
The canonical SMILES for 4-phenylazocane is c1ccc(C2CCCCNCC2)cc1.
What is the InChIKey of 4-phenylazocane?
The InChIKey is GODXQIYIOSXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 4-phenylazocane?
4-phenylazocane has a molecular weight of 189.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylazocane is sourced from PubChem (CID 19847318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).