2-(cyclohexylmethyl)azocine

C14H19N — CID 57248852

IUPAC2-(cyclohexylmethyl)azocine
SMILESC1=CC=C/C(CC2CCCCC2)=N\C=C1
InChIInChI=1S/C14H19N/c1-2-7-11-15-14(10-6-1)12-13-8-4-3-5-9-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2/b2-1?,6-1?,7-2?,10-6?,11-7?,14-10?,15-11?,15-14+
InChIKeyHCILVBUBXDMWNV-KUAUWWGCSA-N
MW201.31 g/mol
LogP4.04
Rot. Bonds2

About 2-(cyclohexylmethyl)azocine

2-(cyclohexylmethyl)azocine (PubChem CID 57248852) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)azocine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)azocine
PubChem CID57248852
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(cyclohexylmethyl)azocine
SMILESC1=CC=C/C(CC2CCCCC2)=N\C=C1
InChIInChI=1S/C14H19N/c1-2-7-11-15-14(10-6-1)12-13-8-4-3-5-9-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2/b2-1?,6-1?,7-2?,10-6?,11-7?,14-10?,15-11?,15-14+
InChIKeyHCILVBUBXDMWNV-KUAUWWGCSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclohexylazocine
CID 57297876
Azabicyclooctadiene
CID 129799705
2-cyclohexyl-4H-azocin-3-imine
CID 57003188
methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57831671
2,3,4,5,6-Pentazabicyclo[12.3.1]octadeca-1,3,5,7,9-pentaene
CID 67700695
N-ethenyl-6-methylcyclohex-2-en-1-imine
CID 68332943
6-methyl-6,7-dihydro-5H-indole
CID 69703521
7-cyclohexyl-2H-azepine
CID 69835043
6-(2-Propylpent-4-enyl)cyclopenta[b]pyrrole
CID 70163423
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
CID 91866614
(4S)-4-cyclohexa-2,4-dien-1-yl-2-methyl-3,4-dihydropyridine
CID 118907285
N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
CID 129127582

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)azocine?
The IUPAC name of 2-(cyclohexylmethyl)azocine (CID 57248852) is 2-(cyclohexylmethyl)azocine.
What is the SMILES notation for 2-(cyclohexylmethyl)azocine?
The canonical SMILES for 2-(cyclohexylmethyl)azocine is C1=CC=C/C(CC2CCCCC2)=N\C=C1.
What is the InChIKey of 2-(cyclohexylmethyl)azocine?
The InChIKey is HCILVBUBXDMWNV-KUAUWWGCSA-N. The full InChI is InChI=1S/C14H19N/c1-2-7-11-15-14(10-6-1)12-13-8-4-3-5-9-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2/b2-1?,6-1?,7-2?,10-6?,11-7?,14-10?,15-11?,15-14+.
What are the key properties of 2-(cyclohexylmethyl)azocine?
2-(cyclohexylmethyl)azocine has a molecular weight of 201.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)azocine is sourced from PubChem (CID 57248852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).