2-cyclohexylazocine

C13H17N — CID 57297876

IUPAC2-cyclohexylazocine
SMILESC1=CC=C/C(C2CCCCC2)=N\C=C1
InChIInChI=1S/C13H17N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,6-7,10-12H,3-5,8-9H2/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+
InChIKeyFMEWCQZDCWIWLY-FKMHVCAISA-N
MW187.29 g/mol
LogP3.65
Rot. Bonds1

About 2-cyclohexylazocine

2-cyclohexylazocine (PubChem CID 57297876) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-cyclohexylazocine.

Molecular Properties

Compound Name2-cyclohexylazocine
PubChem CID57297876
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-cyclohexylazocine
SMILESC1=CC=C/C(C2CCCCC2)=N\C=C1
InChIInChI=1S/C13H17N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,6-7,10-12H,3-5,8-9H2/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+
InChIKeyFMEWCQZDCWIWLY-FKMHVCAISA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
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7-cyclohexyl-2H-azepine
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(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
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(4S)-4-cyclohexa-2,4-dien-1-yl-2-methyl-3,4-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylazocine?
The IUPAC name of 2-cyclohexylazocine (CID 57297876) is 2-cyclohexylazocine.
What is the SMILES notation for 2-cyclohexylazocine?
The canonical SMILES for 2-cyclohexylazocine is C1=CC=C/C(C2CCCCC2)=N\C=C1.
What is the InChIKey of 2-cyclohexylazocine?
The InChIKey is FMEWCQZDCWIWLY-FKMHVCAISA-N. The full InChI is InChI=1S/C13H17N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,6-7,10-12H,3-5,8-9H2/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+.
What are the key properties of 2-cyclohexylazocine?
2-cyclohexylazocine has a molecular weight of 187.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylazocine is sourced from PubChem (CID 57297876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).