1-cyclohexylazocane

C13H25N — CID 23151203

IUPAC1-cyclohexylazocane
SMILESC1CCCN(C2CCCCC2)CCC1
InChIInChI=1S/C13H25N/c1-2-7-11-14(12-8-3-1)13-9-5-4-6-10-13/h13H,1-12H2
InChIKeyZEECIIUZJOUOSE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.59
Rot. Bonds1

About 1-cyclohexylazocane

1-cyclohexylazocane (PubChem CID 23151203) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-cyclohexylazocane.

Molecular Properties

Compound Name1-cyclohexylazocane
PubChem CID23151203
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-cyclohexylazocane
SMILESC1CCCN(C2CCCCC2)CCC1
InChIInChI=1S/C13H25N/c1-2-7-11-14(12-8-3-1)13-9-5-4-6-10-13/h13H,1-12H2
InChIKeyZEECIIUZJOUOSE-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylazocane?
The IUPAC name of 1-cyclohexylazocane (CID 23151203) is 1-cyclohexylazocane.
What is the SMILES notation for 1-cyclohexylazocane?
The canonical SMILES for 1-cyclohexylazocane is C1CCCN(C2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexylazocane?
The InChIKey is ZEECIIUZJOUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-7-11-14(12-8-3-1)13-9-5-4-6-10-13/h13H,1-12H2.
What are the key properties of 1-cyclohexylazocane?
1-cyclohexylazocane has a molecular weight of 195.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylazocane is sourced from PubChem (CID 23151203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).