(8S)-2,3,3,7,7,8-hexamethylazocane

C13H27N — CID 89004687

IUPAC(8S)-2,3,3,7,7,8-hexamethylazocane
SMILESCC1N[C@@H](C)C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27N/c1-10-12(3,4)8-7-9-13(5,6)11(2)14-10/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyUEYZZSQHXZMZLB-VUWPPUDQSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds

About (8S)-2,3,3,7,7,8-hexamethylazocane

(8S)-2,3,3,7,7,8-hexamethylazocane (PubChem CID 89004687) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (8S)-2,3,3,7,7,8-hexamethylazocane.

Molecular Properties

Compound Name(8S)-2,3,3,7,7,8-hexamethylazocane
PubChem CID89004687
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(8S)-2,3,3,7,7,8-hexamethylazocane
SMILESCC1N[C@@H](C)C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27N/c1-10-12(3,4)8-7-9-13(5,6)11(2)14-10/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyUEYZZSQHXZMZLB-VUWPPUDQSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-2,3,3,7,7,8-hexamethylazocane?
The IUPAC name of (8S)-2,3,3,7,7,8-hexamethylazocane (CID 89004687) is (8S)-2,3,3,7,7,8-hexamethylazocane.
What is the SMILES notation for (8S)-2,3,3,7,7,8-hexamethylazocane?
The canonical SMILES for (8S)-2,3,3,7,7,8-hexamethylazocane is CC1N[C@@H](C)C(C)(C)CCCC1(C)C.
What is the InChIKey of (8S)-2,3,3,7,7,8-hexamethylazocane?
The InChIKey is UEYZZSQHXZMZLB-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H27N/c1-10-12(3,4)8-7-9-13(5,6)11(2)14-10/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1.
What are the key properties of (8S)-2,3,3,7,7,8-hexamethylazocane?
(8S)-2,3,3,7,7,8-hexamethylazocane has a molecular weight of 197.37 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2,3,3,7,7,8-hexamethylazocane is sourced from PubChem (CID 89004687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).