2,5,8-trimethylazocane

C10H21N — CID 18957810

IUPAC2,5,8-trimethylazocane
SMILESCC1CCC(C)NC(C)CC1
InChIInChI=1S/C10H21N/c1-8-4-6-9(2)11-10(3)7-5-8/h8-11H,4-7H2,1-3H3
InChIKeyKSAWCJYBJCOAOZ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds

About 2,5,8-trimethylazocane

2,5,8-trimethylazocane (PubChem CID 18957810) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2,5,8-trimethylazocane.

Molecular Properties

Compound Name2,5,8-trimethylazocane
PubChem CID18957810
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2,5,8-trimethylazocane
SMILESCC1CCC(C)NC(C)CC1
InChIInChI=1S/C10H21N/c1-8-4-6-9(2)11-10(3)7-5-8/h8-11H,4-7H2,1-3H3
InChIKeyKSAWCJYBJCOAOZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethylazocane?
The IUPAC name of 2,5,8-trimethylazocane (CID 18957810) is 2,5,8-trimethylazocane.
What is the SMILES notation for 2,5,8-trimethylazocane?
The canonical SMILES for 2,5,8-trimethylazocane is CC1CCC(C)NC(C)CC1.
What is the InChIKey of 2,5,8-trimethylazocane?
The InChIKey is KSAWCJYBJCOAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8-4-6-9(2)11-10(3)7-5-8/h8-11H,4-7H2,1-3H3.
What are the key properties of 2,5,8-trimethylazocane?
2,5,8-trimethylazocane has a molecular weight of 155.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trimethylazocane is sourced from PubChem (CID 18957810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).