1,5,5-trimethylazocane

C10H21N — CID 58916216

IUPAC1,5,5-trimethylazocane
SMILESCN1CCCC(C)(C)CCC1
InChIInChI=1S/C10H21N/c1-10(2)6-4-8-11(3)9-5-7-10/h4-9H2,1-3H3
InChIKeyMVZSXYVVQJTLFN-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds

About 1,5,5-trimethylazocane

1,5,5-trimethylazocane (PubChem CID 58916216) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,5,5-trimethylazocane.

Molecular Properties

Compound Name1,5,5-trimethylazocane
PubChem CID58916216
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,5,5-trimethylazocane
SMILESCN1CCCC(C)(C)CCC1
InChIInChI=1S/C10H21N/c1-10(2)6-4-8-11(3)9-5-7-10/h4-9H2,1-3H3
InChIKeyMVZSXYVVQJTLFN-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethylazocane?
The IUPAC name of 1,5,5-trimethylazocane (CID 58916216) is 1,5,5-trimethylazocane.
What is the SMILES notation for 1,5,5-trimethylazocane?
The canonical SMILES for 1,5,5-trimethylazocane is CN1CCCC(C)(C)CCC1.
What is the InChIKey of 1,5,5-trimethylazocane?
The InChIKey is MVZSXYVVQJTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2)6-4-8-11(3)9-5-7-10/h4-9H2,1-3H3.
What are the key properties of 1,5,5-trimethylazocane?
1,5,5-trimethylazocane has a molecular weight of 155.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethylazocane is sourced from PubChem (CID 58916216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).